N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine

C24H20Cl2N6O5S — CID 142852417

IUPACN-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1N=C(CS(=O)(=O)c2ccccn2)NO1
InChIInChI=1S/C24H20Cl2N6O5S/c1-35-19-9-15-18(28-13-29-24(15)30-14-5-6-16(25)17(26)8-14)10-20(19)36-11-22-31-21(32-37-22)12-38(33,34)23-4-2-3-7-27-23/h2-10,13,22H,11-12H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyZCJDZABLSZJGQN-UHFFFAOYSA-N
MW575.43 g/mol
LogP4.20
Rot. Bonds9

About N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine

N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine (PubChem CID 142852417) has the molecular formula C24H20Cl2N6O5S and a molecular weight of 575.43 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine
PubChem CID142852417
Molecular FormulaC24H20Cl2N6O5S
Molecular Weight575.43 g/mol
Exact Mass574.06
IUPAC NameN-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1N=C(CS(=O)(=O)c2ccccn2)NO1
InChIInChI=1S/C24H20Cl2N6O5S/c1-35-19-9-15-18(28-13-29-24(15)30-14-5-6-16(25)17(26)8-14)10-20(19)36-11-22-31-21(32-37-22)12-38(33,34)23-4-2-3-7-27-23/h2-10,13,22H,11-12H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyZCJDZABLSZJGQN-UHFFFAOYSA-N
XLogP4.20
TPSA136.92 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.43
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine with MolForge

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Related Compounds

N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 10073562
N-(3,4-dichlorophenyl)-6-methoxy-7-[(2-methyl-5-phenyl-2H-imidazol-3-ium-4-yl)methoxy]quinazolin-4-amine chloride
CID 58617001
7-[(4-butylsulfonylmorpholin-4-ium-2-yl)methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 142852602
7-[[(3S,3aR,6S,6aS)-6-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 66838511
CID 142852608
CID 142852608
N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine
CID 70795309
[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone
CID 18967638
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-propoxyquinazolin-4-amine
CID 59772897
7-[[4-(5-aminopentyl)morpholin-2-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 142852402
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578
7-[[3-(4-aminobutyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 71085596

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine (CID 142852417) is N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1N=C(CS(=O)(=O)c2ccccn2)NO1.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine?
The InChIKey is ZCJDZABLSZJGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N6O5S/c1-35-19-9-15-18(28-13-29-24(15)30-14-5-6-16(25)17(26)8-14)10-20(19)36-11-22-31-21(32-37-22)12-38(33,34)23-4-2-3-7-27-23/h2-10,13,22H,11-12H2,1H3,(H,31,32)(H,28,29,30).
What are the key properties of N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine?
N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine has a molecular weight of 575.43 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-methoxy-7-[[3-(pyridin-2-ylsulfonylmethyl)-2,5-dihydro-1,2,4-oxadiazol-5-yl]methoxy]quinazolin-4-amine is sourced from PubChem (CID 142852417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).