N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide

C30H31N3O3 — CID 123712294

IUPACN-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide
SMILESCOC1CC(CNC(=O)c2cccc3cccnc23)N(C(=O)C2C(c3ccccc3)=CC=CC2C)C1
InChIInChI=1S/C30H31N3O3/c1-20-9-6-14-25(21-10-4-3-5-11-21)27(20)30(35)33-19-24(36-2)17-23(33)18-32-29(34)26-15-7-12-22-13-8-16-31-28(22)26/h3-16,20,23-24,27H,17-19H2,1-2H3,(H,32,34)
InChIKeyBQWANCISVOGJBN-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.49
Rot. Bonds6

About N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide

N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide (PubChem CID 123712294) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide
PubChem CID123712294
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC NameN-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide
SMILESCOC1CC(CNC(=O)c2cccc3cccnc23)N(C(=O)C2C(c3ccccc3)=CC=CC2C)C1
InChIInChI=1S/C30H31N3O3/c1-20-9-6-14-25(21-10-4-3-5-11-21)27(20)30(35)33-19-24(36-2)17-23(33)18-32-29(34)26-15-7-12-22-13-8-16-31-28(22)26/h3-16,20,23-24,27H,17-19H2,1-2H3,(H,32,34)
InChIKeyBQWANCISVOGJBN-UHFFFAOYSA-N
XLogP4.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide 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

N-[[4-oxo-1-(2-phenylbenzoyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide
CID 78156933
N-[[(2S,4S)-4-fluoro-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70692194
N-[[(2S)-5-(2-hydroxyethylamino)-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 70692195
N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide
CID 131737120
N-[[5,5-difluoro-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
CID 71715391
N-[[(1S,3aS,7aS)-2-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-1-yl]methyl]quinoline-8-carboxamide
CID 71715500
3-methoxy-4-(quinoline-8-carbonylamino)butanoic acid
CID 103152748
N-[[(1S,2S,5R)-3-[2-(4-methylphenyl)thiophene-3-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]quinoline-8-carboxamide
CID 66998566
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
CID 115456767
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
8-hydroxy-N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]naphthalene-1-carboxamide
CID 146115761
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide (CID 123712294) is N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide is COC1CC(CNC(=O)c2cccc3cccnc23)N(C(=O)C2C(c3ccccc3)=CC=CC2C)C1.
What is the InChIKey of N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide?
The InChIKey is BQWANCISVOGJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-20-9-6-14-25(21-10-4-3-5-11-21)27(20)30(35)33-19-24(36-2)17-23(33)18-32-29(34)26-15-7-12-22-13-8-16-31-28(22)26/h3-16,20,23-24,27H,17-19H2,1-2H3,(H,32,34).
What are the key properties of N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide?
N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-1-(6-methyl-2-phenylcyclohexa-2,4-diene-1-carbonyl)pyrrolidin-2-yl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 123712294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).