1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea

C103H100Cl4F4N24O17S8 — CID 159292178

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea
SMILESCc1nc2cc(C3=NCCN3C)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NCCN3CCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NCCN3CCCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NCCN3CCOCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F
InChIInChI=1S/C27H28ClFN6O4S2.C26H26ClFN6O5S2.C26H26ClFN6O4S2.C24H20ClFN6O4S2/c1-17-31-22-16-18(30-11-14-34-12-3-2-4-13-34)5-7-20(22)26(36)35(17)23-8-6-19(15-21(23)29)32-27(37)33-41(38,39)25-10-9-24(28)40-25;1-16-30-21-15-17(29-8-9-33-10-12-39-13-11-33)2-4-19(21)25(35)34(16)22-5-3-18(14-20(22)28)31-26(36)32-41(37,38)24-7-6-23(27)40-24;1-16-30-21-15-17(29-10-13-33-11-2-3-12-33)4-6-19(21)25(35)34(16)22-7-5-18(14-20(22)28)31-26(36)32-40(37,38)24-9-8-23(27)39-24;1-13-28-18-11-14(22-27-9-10-31(22)2)3-5-16(18)23(33)32(13)19-6-4-15(12-17(19)26)29-24(34)30-38(35,36)21-8-7-20(25)37-21/h5-10,15-16,30H,2-4,11-14H2,1H3,(H2,32,33,37);2-7,14-15,29H,8-13H2,1H3,(H2,31,32,36);4-9,14-15,29H,2-3,10-13H2,1H3,(H2,31,32,36);3-8,11-12H,9-10H2,1-2H3,(H2,29,30,34)
InChIKeyLAGNKFNYQPOHRW-UHFFFAOYSA-N
MW2420.42 g/mol
LogP17.08
Rot. Bonds29

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea

1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea (PubChem CID 159292178) has the molecular formula C103H100Cl4F4N24O17S8 and a molecular weight of 2420.42 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea
PubChem CID159292178
Molecular FormulaC103H100Cl4F4N24O17S8
Molecular Weight2420.42 g/mol
Exact Mass2416.42
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea
SMILESCc1nc2cc(C3=NCCN3C)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NCCN3CCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NCCN3CCCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NCCN3CCOCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F
InChIInChI=1S/C27H28ClFN6O4S2.C26H26ClFN6O5S2.C26H26ClFN6O4S2.C24H20ClFN6O4S2/c1-17-31-22-16-18(30-11-14-34-12-3-2-4-13-34)5-7-20(22)26(36)35(17)23-8-6-19(15-21(23)29)32-27(37)33-41(38,39)25-10-9-24(28)40-25;1-16-30-21-15-17(29-8-9-33-10-12-39-13-11-33)2-4-19(21)25(35)34(16)22-5-3-18(14-20(22)28)31-26(36)32-41(37,38)24-7-6-23(27)40-24;1-16-30-21-15-17(29-10-13-33-11-2-3-12-33)4-6-19(21)25(35)34(16)22-7-5-18(14-20(22)28)31-26(36)32-40(37,38)24-9-8-23(27)39-24;1-13-28-18-11-14(22-27-9-10-31(22)2)3-5-16(18)23(33)32(13)19-6-4-15(12-17(19)26)29-24(34)30-38(35,36)21-8-7-20(25)37-21/h5-10,15-16,30H,2-4,11-14H2,1H3,(H2,32,33,37);2-7,14-15,29H,8-13H2,1H3,(H2,31,32,36);4-9,14-15,29H,2-3,10-13H2,1H3,(H2,31,32,36);3-8,11-12H,9-10H2,1-2H3,(H2,29,30,34)
InChIKeyLAGNKFNYQPOHRW-UHFFFAOYSA-N
XLogP17.08
TPSA511.28 Ų
H-Bond Donors11
H-Bond Acceptors37
Rotatable Bonds29
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002420.42
LogP ≤ 517.08
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1037

Analyze 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[1-oxo-6-(2-piperidin-1-ylethylamino)isoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]phenyl]urea
CID 160775076
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2,4-dioxo-7-(2-pyrrolidin-1-ylethylamino)-1H-quinazolin-3-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(2-morpholin-4-ylethylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-[4-[7-(4,5-dihydro-1,3-oxazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[4-(2,4-dioxo-1,6,7,8-tetrahydropyrrolo[3,2-g]quinazolin-3-yl)-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea;1-[3-fluoro-4-[7-(1-methyl-4,5-dihydroimidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
CID 159715551
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1-oxoisoquinolin-2-yl]-3-fluorophenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(1-methyl-4,5-dihydroimidazol-2-yl)-1-oxoisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[1-oxo-6-(2-pyrrolidin-1-ylethylamino)isoquinolin-2-yl]phenyl]urea
CID 157266968
3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one
CID 158272510
1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
CID 67966534
2-[4-[(5-chlorothiophen-2-yl)sulfonylcarbamoylamino]-2-fluorophenyl]-3-hydroxy-6-(methylamino)-N-(2-morpholin-4-ylethyl)-1-oxoisoquinoline-4-carboxamide
CID 136646933
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[7-(3-morpholin-4-ylpropylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-(4-oxo-8,9-dihydro-7H-pyrrolo[2,3-h]quinazolin-3-yl)phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-7-(3-piperidin-1-ylpropylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[4-oxo-7-(3-pyrrolidin-1-ylpropylamino)quinazolin-3-yl]phenyl]urea
CID 157270885
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]-3-pyridinyl]urea
CID 21027646
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea
CID 20799800
1-[3-chloro-4-[6-(2-morpholin-4-ylethylamino)-1-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 20799127
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-[2-(dimethylamino)ethylamino]-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea
CID 20799796
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[1-hydroxy-6-(1-methyl-4,5-dihydroimidazol-2-yl)-3-oxoisoquinolin-2-yl]phenyl]urea
CID 90882185

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea (CID 159292178) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea is Cc1nc2cc(C3=NCCN3C)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NCCN3CCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NCCN3CCCCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.Cc1nc2cc(NCCN3CCOCC3)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1F.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea?
The InChIKey is LAGNKFNYQPOHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN6O4S2.C26H26ClFN6O5S2.C26H26ClFN6O4S2.C24H20ClFN6O4S2/c1-17-31-22-16-18(30-11-14-34-12-3-2-4-13-34)5-7-20(22)26(36)35(17)23-8-6-19(15-21(23)29)32-27(37)33-41(38,39)25-10-9-24(28)40-25;1-16-30-21-15-17(29-8-9-33-10-12-39-13-11-33)2-4-19(21)25(35)34(16)22-5-3-18(14-20(22)28)31-26(36)32-41(37,38)24-7-6-23(27)40-24;1-16-30-21-15-17(29-10-13-33-11-2-3-12-33)4-6-19(21)25(35)34(16)22-7-5-18(14-20(22)28)31-26(36)32-40(37,38)24-9-8-23(27)39-24;1-13-28-18-11-14(22-27-9-10-31(22)2)3-5-16(18)23(33)32(13)19-6-4-15(12-17(19)26)29-24(34)30-38(35,36)21-8-7-20(25)37-21/h5-10,15-16,30H,2-4,11-14H2,1H3,(H2,32,33,37);2-7,14-15,29H,8-13H2,1H3,(H2,31,32,36);4-9,14-15,29H,2-3,10-13H2,1H3,(H2,31,32,36);3-8,11-12H,9-10H2,1-2H3,(H2,29,30,34).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea?
1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea has a molecular weight of 2420.42 g/mol, XLogP of 17.08, 29 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-7-(2-morpholin-4-ylethylamino)-4-oxoquinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-piperidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea;1-(5-chlorothiophen-2-yl)sulfonyl-3-[3-fluoro-4-[2-methyl-4-oxo-7-(2-pyrrolidin-1-ylethylamino)quinazolin-3-yl]phenyl]urea is sourced from PubChem (CID 159292178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).