7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one

C20H14ClN3O — CID 159799112

IUPAC7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one
SMILESO=c1nc(Cc2ccncc2)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C20H14ClN3O/c21-15-6-7-17-18(12-14-8-10-22-11-9-14)23-20(25)24(19(17)13-15)16-4-2-1-3-5-16/h1-11,13H,12H2
InChIKeyNJOCFBMMONKXGI-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.02
Rot. Bonds3

About 7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one

7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one (PubChem CID 159799112) has the molecular formula C20H14ClN3O and a molecular weight of 347.81 g/mol. Its IUPAC name is 7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one.

Molecular Properties

Compound Name7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one
PubChem CID159799112
Molecular FormulaC20H14ClN3O
Molecular Weight347.81 g/mol
Exact Mass347.08
IUPAC Name7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one
SMILESO=c1nc(Cc2ccncc2)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C20H14ClN3O/c21-15-6-7-17-18(12-14-8-10-22-11-9-14)23-20(25)24(19(17)13-15)16-4-2-1-3-5-16/h1-11,13H,12H2
InChIKeyNJOCFBMMONKXGI-UHFFFAOYSA-N
XLogP4.02
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-4-(oxetan-3-ylamino)-1-phenylquinazolin-2-one
CID 149172130
3-benzyl-7-chloro-2-(1,3-oxazol-2-yl)-1-phenylquinolin-4-one
CID 59846231
5-chloro-1,3-diphenylbenzimidazol-2-one
CID 3061785
8-chloro-6-phenyl-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-c]quinazolin-5-one
CID 170946514
ethyl 3-benzyl-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate
CID 59846219
2-acetyl-7-chloro-1-phenylquinolin-4-one
CID 142701712
7-chloro-4-(methylamino)-1-[3-[3-(2-methylpyrazol-3-yl)propyl]phenyl]quinazolin-2-one
CID 161361467
7-chloro-5-phenyl-3H-imidazo[4,5-c]quinolin-4-one
CID 174326639
1,3-dibenzyl-7-chloroisoquinoline
CID 141360287
7-chloro-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 145390303
4-(oxetan-3-ylmethyl)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
CID 158280060
3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one
CID 10638735

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one?
The IUPAC name of 7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one (CID 159799112) is 7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one.
What is the SMILES notation for 7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one?
The canonical SMILES for 7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one is O=c1nc(Cc2ccncc2)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one?
The InChIKey is NJOCFBMMONKXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O/c21-15-6-7-17-18(12-14-8-10-22-11-9-14)23-20(25)24(19(17)13-15)16-4-2-1-3-5-16/h1-11,13H,12H2.
What are the key properties of 7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one?
7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one has a molecular weight of 347.81 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one is sourced from PubChem (CID 159799112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).