N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide

C26H23N3O2 — CID 8991019

IUPACN-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
SMILESCc1ccccc1C(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H23N3O2/c1-18-9-5-6-12-20(18)25(30)27-15-16-28-26(31)22-17-24(19-10-3-2-4-11-19)29-23-14-8-7-13-21(22)23/h2-14,17H,15-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyKDLYJWULSRSAQM-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.37
Rot. Bonds6

About N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide

N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 8991019) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
PubChem CID8991019
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
SMILESCc1ccccc1C(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H23N3O2/c1-18-9-5-6-12-20(18)25(30)27-15-16-28-26(31)22-17-24(19-10-3-2-4-11-19)29-23-14-8-7-13-21(22)23/h2-14,17H,15-16H2,1H3,(H,27,30)(H,28,31)
InChIKeyKDLYJWULSRSAQM-UHFFFAOYSA-N
XLogP4.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.37
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
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
CID 8991107
2-phenyl-N-prop-2-ynylquinoline-4-carboxamide
CID 17474136

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide (CID 8991019) is N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide is Cc1ccccc1C(=O)NCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is KDLYJWULSRSAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-18-9-5-6-12-20(18)25(30)27-15-16-28-26(31)22-17-24(19-10-3-2-4-11-19)29-23-14-8-7-13-21(22)23/h2-14,17H,15-16H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide?
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 8991019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).