7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one

C26H31N3O — CID 18680492

IUPAC7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one
SMILESCCC(CCC(=O)CCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1
InChIInChI=1S/C26H31N3O/c1-2-19(22-17-21-7-3-4-11-25(21)28-18-22)13-15-24(30)10-5-9-23-14-12-20-8-6-16-27-26(20)29-23/h3-4,7,11-12,14,17-19H,2,5-6,8-10,13,15-16H2,1H3,(H,27,29)
InChIKeyOFAWCMKTFBBJNA-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.85
Rot. Bonds9

About 7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one

7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one (PubChem CID 18680492) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one.

Molecular Properties

Compound Name7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one
PubChem CID18680492
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one
SMILESCCC(CCC(=O)CCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1
InChIInChI=1S/C26H31N3O/c1-2-19(22-17-21-7-3-4-11-25(21)28-18-22)13-15-24(30)10-5-9-23-14-12-20-8-6-16-27-26(20)29-23/h3-4,7,11-12,14,17-19H,2,5-6,8-10,13,15-16H2,1H3,(H,27,29)
InChIKeyOFAWCMKTFBBJNA-UHFFFAOYSA-N
XLogP5.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one with MolForge

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Related Compounds

N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide
CID 20691582
ethyl 3-quinolin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate
CID 54463792
ethyl 3-quinolin-3-yl-3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoate
CID 70249932
methyl 3-quinolin-3-yl-3-[1-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoyl]piperidin-4-yl]propanoate
CID 42605776
1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol
CID 54062705
3-quinolin-3-yl-5-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]pentanoic acid
CID 10481110
ethyl (3S)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrrolidin-1-yl]-3-quinolin-3-ylpropanoate
CID 70234419
(2S)-5-oxo-2-(2-propan-2-ylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 54249344
(3S)-3-quinolin-3-yl-3-[[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]cyclobutanecarbonyl]amino]propanoic acid
CID 134514357
ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate
CID 69396464
(3S)-3-quinolin-3-yl-3-[[(3R)-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]piperidine-3-carbonyl]amino]propanoic acid
CID 165121855
7-(1-benzofuran-6-yl)-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-5-one
CID 22082680

Frequently Asked Questions

What is the IUPAC name of 7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one?
The IUPAC name of 7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one (CID 18680492) is 7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one.
What is the SMILES notation for 7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one?
The canonical SMILES for 7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one is CCC(CCC(=O)CCCc1ccc2c(n1)NCCC2)c1cnc2ccccc2c1.
What is the InChIKey of 7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one?
The InChIKey is OFAWCMKTFBBJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-2-19(22-17-21-7-3-4-11-25(21)28-18-22)13-15-24(30)10-5-9-23-14-12-20-8-6-16-27-26(20)29-23/h3-4,7,11-12,14,17-19H,2,5-6,8-10,13,15-16H2,1H3,(H,27,29).
What are the key properties of 7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one?
7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one has a molecular weight of 401.55 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one is sourced from PubChem (CID 18680492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).