7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one

C17H16ClN3O — CID 166634689

IUPAC7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one
SMILESCN(CCc1ccccc1)c1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H16ClN3O/c1-21(10-9-12-5-3-2-4-6-12)16-14-8-7-13(18)11-15(14)19-17(22)20-16/h2-8,11H,9-10H2,1H3,(H,19,20,22)
InChIKeyXZZGZXMAOGJZIO-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.26
Rot. Bonds4

About 7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one

7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one (PubChem CID 166634689) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one
PubChem CID166634689
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one
SMILESCN(CCc1ccccc1)c1nc(=O)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C17H16ClN3O/c1-21(10-9-12-5-3-2-4-6-12)16-14-8-7-13(18)11-15(14)19-17(22)20-16/h2-8,11H,9-10H2,1H3,(H,19,20,22)
InChIKeyXZZGZXMAOGJZIO-UHFFFAOYSA-N
XLogP3.26
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloranyl-4-[(3R)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-quinazolin-2-one
CID 150331522
MAT2A inhibitor 3
CID 150703860
7-Chloranyl-4-(dimethylamino)-1-(3-methylphenyl)quinazolin-2-one
CID 155899145
7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one
CID 133054303
7-Chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one
CID 155899144
4-(Benzylamino)-1,2-dihydroquinazolin-2-one
CID 25153233
Imidazo(1,2-c)quinazoline, 5-(4-chlorophenyl)-2,3,5,6-tetrahydro-
CID 211824
N-[2-(4-chlorophenyl)ethyl]-6-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]hexanamide
CID 3366877
7-Chloro-4-[ethyl(methyl)amino]-1-phenylquinazolin-2-one
CID 166627659
7-chloro-4-[ethyl(methyl)amino]-1H-quinazolin-2-one
CID 166629570
4-[2-(2-chlorophenyl)ethylamino]-1H-quinazoline-2-thione
CID 5156292
1-[1-(4-Chlorophenyl)-3-(dimethylamino)propyl]-3-(2-methylphenyl)urea
CID 11681737

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one?
The IUPAC name of 7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one (CID 166634689) is 7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one.
What is the SMILES notation for 7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one?
The canonical SMILES for 7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one is CN(CCc1ccccc1)c1nc(=O)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one?
The InChIKey is XZZGZXMAOGJZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-21(10-9-12-5-3-2-4-6-12)16-14-8-7-13(18)11-15(14)19-17(22)20-16/h2-8,11H,9-10H2,1H3,(H,19,20,22).
What are the key properties of 7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one?
7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one has a molecular weight of 313.79 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[methyl(2-phenylethyl)amino]-1H-quinazolin-2-one is sourced from PubChem (CID 166634689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).