3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one

C17H16ClN3O2 — CID 58387646

IUPAC3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one
SMILESCCN(C)c1nc2cc(O)ccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-3-20(2)17-19-15-10-13(22)8-9-14(15)16(23)21(17)12-6-4-11(18)5-7-12/h4-10,22H,3H2,1-2H3
InChIKeyZXEZGKBNBRCMBB-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.20
Rot. Bonds3

About 3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one

3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one (PubChem CID 58387646) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one
PubChem CID58387646
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one
SMILESCCN(C)c1nc2cc(O)ccc2c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-3-20(2)17-19-15-10-13(22)8-9-14(15)16(23)21(17)12-6-4-11(18)5-7-12/h4-10,22H,3H2,1-2H3
InChIKeyZXEZGKBNBRCMBB-UHFFFAOYSA-N
XLogP3.20
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-2-(diethylamino)quinazolin-4-one
CID 10758630
7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 3500107
7-hydroxy-3-phenyl-2-propan-2-ylquinazolin-4-one
CID 53402974
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(2-methylpropyl)acetamide
CID 5199700
CID 87756550
CID 87756550
1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,4-difluorophenyl)-1-ethylurea
CID 42715791
2-chloro-N-[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylacetamide
CID 1060367
2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634870
7-chloro-2-[(1R)-1-(ethylamino)ethyl]-3-(4-methylphenyl)quinazolin-4-one
CID 769847
3-(4-chlorophenyl)-6-[2-(dimethylamino)ethyl-methylamino]-2-methylquinazolin-4-one
CID 139668150
[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium
CID 7493092

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one (CID 58387646) is 3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one is CCN(C)c1nc2cc(O)ccc2c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one?
The InChIKey is ZXEZGKBNBRCMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-3-20(2)17-19-15-10-13(22)8-9-14(15)16(23)21(17)12-6-4-11(18)5-7-12/h4-10,22H,3H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one?
3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one has a molecular weight of 329.79 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[ethyl(methyl)amino]-7-hydroxyquinazolin-4-one is sourced from PubChem (CID 58387646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).