7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one

C17H16N4O3 — CID 167743252

IUPAC7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one
SMILESO=C1CCC2=C(CCN(C(=O)c3ccc4c(=O)[nH]cnc4c3)C2)N1
InChIInChI=1S/C17H16N4O3/c22-15-4-2-11-8-21(6-5-13(11)20-15)17(24)10-1-3-12-14(7-10)18-9-19-16(12)23/h1,3,7,9H,2,4-6,8H2,(H,20,22)(H,18,19,23)
InChIKeyOGEASUCNEVJZGE-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.93
Rot. Bonds1

About 7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one

7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one (PubChem CID 167743252) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one
PubChem CID167743252
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one
SMILESO=C1CCC2=C(CCN(C(=O)c3ccc4c(=O)[nH]cnc4c3)C2)N1
InChIInChI=1S/C17H16N4O3/c22-15-4-2-11-8-21(6-5-13(11)20-15)17(24)10-1-3-12-14(7-10)18-9-19-16(12)23/h1,3,7,9H,2,4-6,8H2,(H,20,22)(H,18,19,23)
InChIKeyOGEASUCNEVJZGE-UHFFFAOYSA-N
XLogP0.93
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one with MolForge

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Related Compounds

7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953976
7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one
CID 155954004
7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one
CID 136559134
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953985
7-[3-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 167962226
7-(2-bromoacetyl)-3H-quinazolin-4-one
CID 135714637
7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one
CID 155954274
(3,4-dichlorophenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712764
N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide
CID 135633054
(4-methylphenyl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 110712760
7-(2,2-difluoroethyl)-3H-quinazolin-4-one
CID 155734124

Frequently Asked Questions

What is the IUPAC name of 7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one?
The IUPAC name of 7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one (CID 167743252) is 7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one?
The canonical SMILES for 7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one is O=C1CCC2=C(CCN(C(=O)c3ccc4c(=O)[nH]cnc4c3)C2)N1.
What is the InChIKey of 7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one?
The InChIKey is OGEASUCNEVJZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-15-4-2-11-8-21(6-5-13(11)20-15)17(24)10-1-3-12-14(7-10)18-9-19-16(12)23/h1,3,7,9H,2,4-6,8H2,(H,20,22)(H,18,19,23).
What are the key properties of 7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one?
7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one has a molecular weight of 324.34 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one is sourced from PubChem (CID 167743252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).