3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one

C17H15N3O — CID 163309783

IUPAC3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cnc2c(c1)CNCC2
InChIInChI=1S/C17H15N3O/c21-17-14(8-11-3-1-2-4-16(11)20-17)12-7-13-9-18-6-5-15(13)19-10-12/h1-4,7-8,10,18H,5-6,9H2,(H,20,21)
InChIKeyXKKARPUNOVQNCH-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.24
Rot. Bonds1

About 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one

3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one (PubChem CID 163309783) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one
PubChem CID163309783
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cnc2c(c1)CNCC2
InChIInChI=1S/C17H15N3O/c21-17-14(8-11-3-1-2-4-16(11)20-17)12-7-13-9-18-6-5-15(13)19-10-12/h1-4,7-8,10,18H,5-6,9H2,(H,20,21)
InChIKeyXKKARPUNOVQNCH-UHFFFAOYSA-N
XLogP2.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-one
CID 137184532
3-(3-hydroxyphenyl)-1H-quinolin-2-one
CID 11989516
3-(2,6-diphenyl-4-pyridinyl)-1H-quinolin-2-one
CID 25231803
3-(3-chlorophenyl)-1H-quinolin-2-one
CID 152763617
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1H-quinolin-2-one
CID 155962167
3-(difluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 89389298
2-chloro-5-fluoro-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)phenol
CID 138378543
5,6,7,8-tetrahydro-1,6-naphthyridin-3-amine
CID 53249914
3-[1-(1,2,3,6-tetrahydropyridin-4-yl)-3,6-dihydro-2H-pyridin-4-yl]-1H-quinolin-2-one
CID 178144829
bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride
CID 154804713
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylpyrazin-2-yl]-1H-quinolin-2-one
CID 170781189
copper bis(2-oxo-1H-quinolin-3-olate)
CID 67199859

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one (CID 163309783) is 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1cnc2c(c1)CNCC2.
What is the InChIKey of 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one?
The InChIKey is XKKARPUNOVQNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17-14(8-11-3-1-2-4-16(11)20-17)12-7-13-9-18-6-5-15(13)19-10-12/h1-4,7-8,10,18H,5-6,9H2,(H,20,21).
What are the key properties of 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one?
3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one has a molecular weight of 277.33 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1H-quinolin-2-one is sourced from PubChem (CID 163309783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).