N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide

C30H26N2O3 — CID 2353295

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)cc1OC
InChIInChI=1S/C30H26N2O3/c1-34-28-15-14-20(18-29(28)35-2)16-17-31-30(33)25-19-27(32-26-13-6-5-11-24(25)26)23-12-7-9-21-8-3-4-10-22(21)23/h3-15,18-19H,16-17H2,1-2H3,(H,31,33)
InChIKeyLKUNPVJRXJNNBX-UHFFFAOYSA-N
MW462.55 g/mol
LogP6.04
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide (PubChem CID 2353295) has the molecular formula C30H26N2O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
PubChem CID2353295
Molecular FormulaC30H26N2O3
Molecular Weight462.55 g/mol
Exact Mass462.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)cc1OC
InChIInChI=1S/C30H26N2O3/c1-34-28-15-14-20(18-29(28)35-2)16-17-31-30(33)25-19-27(32-26-13-6-5-11-24(25)26)23-12-7-9-21-8-3-4-10-22(21)23/h3-15,18-19H,16-17H2,1-2H3,(H,31,33)
InChIKeyLKUNPVJRXJNNBX-UHFFFAOYSA-N
XLogP6.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-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

2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 1221492
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 17374071
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518571
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854384
N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 24687149
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 3579691
N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990753
2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 4643106
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484643
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenyl)-6-methylquinoline-4-carboxamide
CID 3276251

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide (CID 2353295) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide?
The InChIKey is LKUNPVJRXJNNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O3/c1-34-28-15-14-20(18-29(28)35-2)16-17-31-30(33)25-19-27(32-26-13-6-5-11-24(25)26)23-12-7-9-21-8-3-4-10-22(21)23/h3-15,18-19H,16-17H2,1-2H3,(H,31,33).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 2353295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).