1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid

C25H34N2O5 — CID 142970273

IUPAC1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid
SMILESCCCCCn1c(=O)c(C(=O)NC2(C(=O)O)CCCCCCC2)cc2ccc(OC)cc21
InChIInChI=1S/C25H34N2O5/c1-3-4-10-15-27-21-17-19(32-2)12-11-18(21)16-20(23(27)29)22(28)26-25(24(30)31)13-8-6-5-7-9-14-25/h11-12,16-17H,3-10,13-15H2,1-2H3,(H,26,28)(H,30,31)
InChIKeyLHFYPCRBSZVGNI-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.50
Rot. Bonds8

About 1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid

1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid (PubChem CID 142970273) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid
PubChem CID142970273
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC Name1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid
SMILESCCCCCn1c(=O)c(C(=O)NC2(C(=O)O)CCCCCCC2)cc2ccc(OC)cc21
InChIInChI=1S/C25H34N2O5/c1-3-4-10-15-27-21-17-19(32-2)12-11-18(21)16-20(23(27)29)22(28)26-25(24(30)31)13-8-6-5-7-9-14-25/h11-12,16-17H,3-10,13-15H2,1-2H3,(H,26,28)(H,30,31)
InChIKeyLHFYPCRBSZVGNI-UHFFFAOYSA-N
XLogP4.50
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid 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

methyl 1-[(7-methoxy-2-oxo-1-propylquinoline-3-carbonyl)amino]cycloheptane-1-carboxylate
CID 142970265
methanol;7-methoxy-N-(1-methylcycloheptyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 142970358
1-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 67520083
1-[(1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70696000
1-[(2,5-dimethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351073
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-hexyl-7-methoxyquinolin-2-one
CID 142970389
1-[[1-(2-methoxyethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 70696001
1-butyl-N-[(4-methoxyphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587757
1-[(3-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43151448
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
1-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 69472195
1-[(2-amino-5-methoxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 115413408

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid?
The IUPAC name of 1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid (CID 142970273) is 1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid is CCCCCn1c(=O)c(C(=O)NC2(C(=O)O)CCCCCCC2)cc2ccc(OC)cc21.
What is the InChIKey of 1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid?
The InChIKey is LHFYPCRBSZVGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-3-4-10-15-27-21-17-19(32-2)12-11-18(21)16-20(23(27)29)22(28)26-25(24(30)31)13-8-6-5-7-9-14-25/h11-12,16-17H,3-10,13-15H2,1-2H3,(H,26,28)(H,30,31).
What are the key properties of 1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid?
1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid has a molecular weight of 442.56 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methoxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 142970273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).