7-chloro-2-(dimethylamino)-3H-quinazolin-4-one

C10H10ClN3O — CID 137287755

IUPAC7-chloro-2-(dimethylamino)-3H-quinazolin-4-one
SMILESCN(C)c1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C10H10ClN3O/c1-14(2)10-12-8-5-6(11)3-4-7(8)9(15)13-10/h3-5H,1-2H3,(H,12,13,15)
InChIKeyGSXUPVPHDKLNRX-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.64
Rot. Bonds1

About 7-chloro-2-(dimethylamino)-3H-quinazolin-4-one

7-chloro-2-(dimethylamino)-3H-quinazolin-4-one (PubChem CID 137287755) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 7-chloro-2-(dimethylamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(dimethylamino)-3H-quinazolin-4-one
PubChem CID137287755
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name7-chloro-2-(dimethylamino)-3H-quinazolin-4-one
SMILESCN(C)c1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C10H10ClN3O/c1-14(2)10-12-8-5-6(11)3-4-7(8)9(15)13-10/h3-5H,1-2H3,(H,12,13,15)
InChIKeyGSXUPVPHDKLNRX-UHFFFAOYSA-N
XLogP1.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
CID 136917917
7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135722541
4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 135939282
7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135811769
7-chloro-2-(2,4-dichlorophenoxy)-3H-quinazolin-4-one
CID 137304089
7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135809695
7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135724878
7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847774
7-chloro-2-[(4-ethylpyridin-1-ium-1-yl)methyl]-3H-quinazolin-4-one
CID 135677170
7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135847238
6-(dimethylamino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135403384
7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135952239

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(dimethylamino)-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-(dimethylamino)-3H-quinazolin-4-one (CID 137287755) is 7-chloro-2-(dimethylamino)-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-(dimethylamino)-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-(dimethylamino)-3H-quinazolin-4-one is CN(C)c1nc2cc(Cl)ccc2c(=O)[nH]1.
What is the InChIKey of 7-chloro-2-(dimethylamino)-3H-quinazolin-4-one?
The InChIKey is GSXUPVPHDKLNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-14(2)10-12-8-5-6(11)3-4-7(8)9(15)13-10/h3-5H,1-2H3,(H,12,13,15).
What are the key properties of 7-chloro-2-(dimethylamino)-3H-quinazolin-4-one?
7-chloro-2-(dimethylamino)-3H-quinazolin-4-one has a molecular weight of 223.66 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(dimethylamino)-3H-quinazolin-4-one is sourced from PubChem (CID 137287755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).