6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine

C124H89Cl4F3N20O5 — CID 158117807

IUPAC6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(N)c3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc2c1=O.O=c1[nH]cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.O=c1[nH]cnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12.c1cc(-c2ncccc2-c2ccc3ncnc(N4CCOCC4)c3c2)cc(C2CC2)c1
InChIInChI=1S/C26H24N4O.C20H13ClFN3O.C20H14ClN3O.C20H15FN4.C19H11ClFN3O.C19H12ClN3O/c1-3-19(18-6-7-18)15-21(4-1)25-22(5-2-10-27-25)20-8-9-24-23(16-20)26(29-17-28-24)30-11-13-31-14-12-30;1-25-11-24-18-7-5-12(9-15(18)20(25)26)14-3-2-8-23-19(14)13-4-6-17(22)16(21)10-13;1-24-12-23-18-8-7-13(11-17(18)20(24)25)16-6-3-9-22-19(16)14-4-2-5-15(21)10-14;1-12-9-14(4-6-17(12)21)19-15(3-2-8-23-19)13-5-7-18-16(10-13)20(22)25-11-24-18;20-15-9-12(3-5-16(15)21)18-13(2-1-7-22-18)11-4-6-17-14(8-11)19(25)24-10-23-17;20-14-4-1-3-13(9-14)18-15(5-2-8-21-18)12-6-7-17-16(10-12)19(24)23-11-22-17/h1-5,8-10,15-18H,6-7,11-14H2;2-11H,1H3;2-12H,1H3;2-11H,1H3,(H2,22,24,25);1-10H,(H,23,24,25);1-11H,(H,22,23,24)
InChIKeyFRFQRUUXBQHHED-UHFFFAOYSA-N
MW2138.02 g/mol
LogP26.98
Rot. Bonds14

About 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 158117807) has the molecular formula C124H89Cl4F3N20O5 and a molecular weight of 2138.02 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID158117807
Molecular FormulaC124H89Cl4F3N20O5
Molecular Weight2138.02 g/mol
Exact Mass2134.60
IUPAC Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(N)c3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc2c1=O.O=c1[nH]cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.O=c1[nH]cnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12.c1cc(-c2ncccc2-c2ccc3ncnc(N4CCOCC4)c3c2)cc(C2CC2)c1
InChIInChI=1S/C26H24N4O.C20H13ClFN3O.C20H14ClN3O.C20H15FN4.C19H11ClFN3O.C19H12ClN3O/c1-3-19(18-6-7-18)15-21(4-1)25-22(5-2-10-27-25)20-8-9-24-23(16-20)26(29-17-28-24)30-11-13-31-14-12-30;1-25-11-24-18-7-5-12(9-15(18)20(25)26)14-3-2-8-23-19(14)13-4-6-17(22)16(21)10-13;1-24-12-23-18-8-7-13(11-17(18)20(24)25)16-6-3-9-22-19(16)14-4-2-5-15(21)10-14;1-12-9-14(4-6-17(12)21)19-15(3-2-8-23-19)13-5-7-18-16(10-13)20(22)25-11-24-18;20-15-9-12(3-5-16(15)21)18-13(2-1-7-22-18)11-4-6-17-14(8-11)19(25)24-10-23-17;20-14-4-1-3-13(9-14)18-15(5-2-8-21-18)12-6-7-17-16(10-12)19(24)23-11-22-17/h1-5,8-10,15-18H,6-7,11-14H2;2-11H,1H3;2-12H,1H3;2-11H,1H3,(H2,22,24,25);1-10H,(H,23,24,25);1-11H,(H,22,23,24)
InChIKeyFRFQRUUXBQHHED-UHFFFAOYSA-N
XLogP26.98
TPSA328.67 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002138.02
LogP ≤ 526.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine with MolForge

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Related Compounds

US10172859, Example 230
CID 117711721
US11065253, Example 230
CID 146437458
[4-[4-(3-Chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 53303617
[2-Fluoro-5-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 71179894
[4-(3-Chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]-morpholin-4-ylmethanone
CID 71180226
4-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 71181177
N'-[6-(2-chloro-3-pyridinyl)pyrimidin-4-yl]-N-[4-methyl-3-[[3-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]amino]phenyl]-N'-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)benzohydrazide
CID 87583222
N-[4-[2-[N-[6-(2-chloro-3-pyridinyl)pyrimidin-4-yl]-4-methyl-3-[[3-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]amino]anilino]ethyl]morpholin-3-yl]-2-(trifluoromethyl)benzamide
CID 87583223
2-chloro-N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 87610811
4-chloro-N-(3,5-dimorpholin-4-ylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-[[2-(3,5-dimorpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylbenzamide
CID 118905908
3-[(1R)-1-[[3-chloro-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)quinolin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 126530898
3-[1-[[3-Chloro-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)quinolin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 126530899

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine (CID 158117807) is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine is Cc1cc(-c2ncccc2-c2ccc3ncnc(N)c3c2)ccc1F.Cn1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2c1=O.Cn1cnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc2c1=O.O=c1[nH]cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc12.O=c1[nH]cnc2ccc(-c3cccnc3-c3cccc(Cl)c3)cc12.c1cc(-c2ncccc2-c2ccc3ncnc(N4CCOCC4)c3c2)cc(C2CC2)c1.
What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is FRFQRUUXBQHHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O.C20H13ClFN3O.C20H14ClN3O.C20H15FN4.C19H11ClFN3O.C19H12ClN3O/c1-3-19(18-6-7-18)15-21(4-1)25-22(5-2-10-27-25)20-8-9-24-23(16-20)26(29-17-28-24)30-11-13-31-14-12-30;1-25-11-24-18-7-5-12(9-15(18)20(25)26)14-3-2-8-23-19(14)13-4-6-17(22)16(21)10-13;1-24-12-23-18-8-7-13(11-17(18)20(24)25)16-6-3-9-22-19(16)14-4-2-5-15(21)10-14;1-12-9-14(4-6-17(12)21)19-15(3-2-8-23-19)13-5-7-18-16(10-13)20(22)25-11-24-18;20-15-9-12(3-5-16(15)21)18-13(2-1-7-22-18)11-4-6-17-14(8-11)19(25)24-10-23-17;20-14-4-1-3-13(9-14)18-15(5-2-8-21-18)12-6-7-17-16(10-12)19(24)23-11-22-17/h1-5,8-10,15-18H,6-7,11-14H2;2-11H,1H3;2-12H,1H3;2-11H,1H3,(H2,22,24,25);1-10H,(H,23,24,25);1-11H,(H,22,23,24).
What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 2138.02 g/mol, XLogP of 26.98, 14 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(3-chlorophenyl)-3-pyridinyl]-3H-quinazolin-4-one;4-[6-[2-(3-cyclopropylphenyl)-3-pyridinyl]quinazolin-4-yl]morpholine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 158117807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).