N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide

C24H21N3O2 — CID 24687149

IUPACN-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C24H21N3O2/c1-16(28)25-13-14-26-24(29)21-15-23(27-22-12-5-4-10-20(21)22)19-11-6-8-17-7-2-3-9-18(17)19/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyIGYZXGKFEXFDBK-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.92
Rot. Bonds5

About N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide

N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide (PubChem CID 24687149) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide
PubChem CID24687149
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C24H21N3O2/c1-16(28)25-13-14-26-24(29)21-15-23(27-22-12-5-4-10-20(21)22)19-11-6-8-17-7-2-3-9-18(17)19/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyIGYZXGKFEXFDBK-UHFFFAOYSA-N
XLogP3.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
1-(2-naphthalen-1-ylquinolin-4-yl)ethanone
CID 140742402
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
2-naphthalen-1-yl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 7535347
N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide
CID 62241412
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353295
N-(1-hydroxy-2-methylpropan-2-yl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 4802439
2-naphthalen-1-ylquinoline-4-carbonyl chloride
CID 91689267
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide (CID 24687149) is N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide is CC(=O)NCCNC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide?
The InChIKey is IGYZXGKFEXFDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16(28)25-13-14-26-24(29)21-15-23(27-22-12-5-4-10-20(21)22)19-11-6-8-17-7-2-3-9-18(17)19/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide?
N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 24687149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).