7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one

C18H12ClN3O — CID 141114894

IUPAC7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2ncn1Cc1ccc2ccccc2n1
InChIInChI=1S/C18H12ClN3O/c19-13-6-8-15-17(9-13)20-11-22(18(15)23)10-14-7-5-12-3-1-2-4-16(12)21-14/h1-9,11H,10H2
InChIKeyVAERLNDGPLNWCQ-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.65
Rot. Bonds2

About 7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one

7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one (PubChem CID 141114894) has the molecular formula C18H12ClN3O and a molecular weight of 321.77 g/mol. Its IUPAC name is 7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one
PubChem CID141114894
Molecular FormulaC18H12ClN3O
Molecular Weight321.77 g/mol
Exact Mass321.07
IUPAC Name7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2ncn1Cc1ccc2ccccc2n1
InChIInChI=1S/C18H12ClN3O/c19-13-6-8-15-17(9-13)20-11-22(18(15)23)10-14-7-5-12-3-1-2-4-16(12)21-14/h1-9,11H,10H2
InChIKeyVAERLNDGPLNWCQ-UHFFFAOYSA-N
XLogP3.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 853041
7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one
CID 17456627
3-(2-aminoethyl)-7-chloroquinazolin-4-one;hydrochloride
CID 45371352
3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]quinazolin-4-one
CID 47037876
3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one
CID 62101578
7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one
CID 17407106
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-7-chloroquinazolin-4-one
CID 24528451
3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
CID 79231283
7-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]quinazolin-4-one
CID 34093322
3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 40743497
7-chloro-3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 24578370
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one (CID 141114894) is 7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one is O=c1c2ccc(Cl)cc2ncn1Cc1ccc2ccccc2n1.
What is the InChIKey of 7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one?
The InChIKey is VAERLNDGPLNWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O/c19-13-6-8-15-17(9-13)20-11-22(18(15)23)10-14-7-5-12-3-1-2-4-16(12)21-14/h1-9,11H,10H2.
What are the key properties of 7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one?
7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one has a molecular weight of 321.77 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(quinolin-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 141114894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).