1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol

C24H27N3O — CID 54062705

IUPAC1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol
SMILESOC(C=Cc1cnc2ccccc2c1)CCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C24H27N3O/c28-22(14-11-18-16-20-6-1-4-10-23(20)26-17-18)9-3-2-8-21-13-12-19-7-5-15-25-24(19)27-21/h1,4,6,10-14,16-17,22,28H,2-3,5,7-9,15H2,(H,25,27)
InChIKeyMAVSXMMAOHUDKV-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.78
Rot. Bonds7

About 1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol

1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol (PubChem CID 54062705) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol.

Molecular Properties

Compound Name1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol
PubChem CID54062705
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol
SMILESOC(C=Cc1cnc2ccccc2c1)CCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C24H27N3O/c28-22(14-11-18-16-20-6-1-4-10-23(20)26-17-18)9-3-2-8-21-13-12-19-7-5-15-25-24(19)27-21/h1,4,6,10-14,16-17,22,28H,2-3,5,7-9,15H2,(H,25,27)
InChIKeyMAVSXMMAOHUDKV-UHFFFAOYSA-N
XLogP4.78
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,3R)-1-(2-propan-2-ylpyrimidin-5-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol
CID 11485411
7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]hept-1-en-3-ol
CID 123531103
CID 157215227
CID 157215227
7-[(E)-7-(6-methylquinolin-3-yl)-5-nitrosohept-6-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 166895330
N-(1-quinolin-3-ylpropyl)-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanamide
CID 20691582
7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one
CID 18680492
1-(7-fluoroquinolin-3-yl)-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one
CID 123151596
ethyl 3-quinolin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate
CID 54463792
(E)-7-(5,6,7,8-tetrahydroquinolin-2-yl)-1-[7-(trifluoromethyl)quinolin-3-yl]hept-1-en-3-ol
CID 157113050
ethyl 3-quinolin-3-yl-3-[[2-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]acetyl]amino]propanoate
CID 70249932
3-hydroxy-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 90338346
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

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol?
The IUPAC name of 1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol (CID 54062705) is 1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol.
What is the SMILES notation for 1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol?
The canonical SMILES for 1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol is OC(C=Cc1cnc2ccccc2c1)CCCCc1ccc2c(n1)NCCC2.
What is the InChIKey of 1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol?
The InChIKey is MAVSXMMAOHUDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c28-22(14-11-18-16-20-6-1-4-10-23(20)26-17-18)9-3-2-8-21-13-12-19-7-5-15-25-24(19)27-21/h1,4,6,10-14,16-17,22,28H,2-3,5,7-9,15H2,(H,25,27).
What are the key properties of 1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol?
1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol has a molecular weight of 373.50 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-ol is sourced from PubChem (CID 54062705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).