8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one

C16H14ClN3O3 — CID 162391518

IUPAC8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one
SMILESCOc1cc(Nc2nc3c(Cl)cccc3c(=O)[nH]2)cc(OC)c1
InChIInChI=1S/C16H14ClN3O3/c1-22-10-6-9(7-11(8-10)23-2)18-16-19-14-12(15(21)20-16)4-3-5-13(14)17/h3-8H,1-2H3,(H2,18,19,20,21)
InChIKeyGJVUOQHGDUEUHB-UHFFFAOYSA-N
MW331.76 g/mol
LogP3.34
Rot. Bonds4

About 8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one

8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one (PubChem CID 162391518) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is 8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one
PubChem CID162391518
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one
SMILESCOc1cc(Nc2nc3c(Cl)cccc3c(=O)[nH]2)cc(OC)c1
InChIInChI=1S/C16H14ClN3O3/c1-22-10-6-9(7-11(8-10)23-2)18-16-19-14-12(15(21)20-16)4-3-5-13(14)17/h3-8H,1-2H3,(H2,18,19,20,21)
InChIKeyGJVUOQHGDUEUHB-UHFFFAOYSA-N
XLogP3.34
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dichloroanilino)-8-hydroxy-3H-quinazolin-4-one
CID 162391500
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
CID 135440093
2-(3-chloro-4-methoxyanilino)-3H-quinazolin-4-one
CID 135713751
7,8-dichloro-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
CID 162391536
N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide
CID 136608254
3-chloro-2-N-(3,5-dimethoxyphenyl)benzene-1,2-diamine
CID 43148696
2-(3,5-dimethylanilino)-3H-quinazolin-4-one
CID 135439663
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
1-(2-chlorophenyl)-3-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]urea
CID 134141090
8-chloro-4-(2-chloro-5-methoxyphenyl)-2-methylquinoline
CID 68877483
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate
CID 53113369

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one?
The IUPAC name of 8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one (CID 162391518) is 8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one.
What is the SMILES notation for 8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one?
The canonical SMILES for 8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one is COc1cc(Nc2nc3c(Cl)cccc3c(=O)[nH]2)cc(OC)c1.
What is the InChIKey of 8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one?
The InChIKey is GJVUOQHGDUEUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-22-10-6-9(7-11(8-10)23-2)18-16-19-14-12(15(21)20-16)4-3-5-13(14)17/h3-8H,1-2H3,(H2,18,19,20,21).
What are the key properties of 8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one?
8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one has a molecular weight of 331.76 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one is sourced from PubChem (CID 162391518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).