7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one

C20H15N3O2 — CID 167764140

IUPAC7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2ccc(-c3ccc(C(=O)c4cccnc4)cc3)cc2N1
InChIInChI=1S/C20H15N3O2/c24-19(17-2-1-9-21-11-17)14-5-3-13(4-6-14)15-7-8-16-12-22-20(25)23-18(16)10-15/h1-11H,12H2,(H2,22,23,25)
InChIKeyWRWPHXRZANHHGL-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.61
Rot. Bonds3

About 7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one

7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 167764140) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one
PubChem CID167764140
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2ccc(-c3ccc(C(=O)c4cccnc4)cc3)cc2N1
InChIInChI=1S/C20H15N3O2/c24-19(17-2-1-9-21-11-17)14-5-3-13(4-6-14)15-7-8-16-12-22-20(25)23-18(16)10-15/h1-11H,12H2,(H2,22,23,25)
InChIKeyWRWPHXRZANHHGL-UHFFFAOYSA-N
XLogP3.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-phenyl-3,4-dihydro-1H-quinazolin-2-one
CID 139015043
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-pyridin-3-ylmethanone
CID 166359596
6-chloro-5-(pyridine-3-carbonyl)-1,3-dihydroindol-2-one
CID 43457490
(2-methylsulfanyl-1,4-dihydroquinazolin-6-yl)-pyridin-3-ylmethanone
CID 19757067
[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-pyridin-3-ylmethanone
CID 167974245
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
CID 122689009
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
6-benzoyl-1,3-dihydroindol-2-one
CID 13408231
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one
CID 139015050
6-(4-methyl-3-pyridinyl)-3,4-dihydro-1H-quinazolin-2-one
CID 170266196

Frequently Asked Questions

What is the IUPAC name of 7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one (CID 167764140) is 7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one is O=C1NCc2ccc(-c3ccc(C(=O)c4cccnc4)cc3)cc2N1.
What is the InChIKey of 7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is WRWPHXRZANHHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19(17-2-1-9-21-11-17)14-5-3-13(4-6-14)15-7-8-16-12-22-20(25)23-18(16)10-15/h1-11H,12H2,(H2,22,23,25).
What are the key properties of 7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one?
7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 329.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 167764140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).