N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide

C27H25N3O2 — CID 26713872

IUPACN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)c1
InChIInChI=1S/C27H25N3O2/c1-17-13-18(2)26(19(3)14-17)30-25(31)16-28-27(32)22-15-24(20-9-5-4-6-10-20)29-23-12-8-7-11-21(22)23/h4-15H,16H2,1-3H3,(H,28,32)(H,30,31)
InChIKeyLADLMDAAKYCFEZ-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.20
Rot. Bonds5

About N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide

N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 26713872) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
PubChem CID26713872
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC NameN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)c1
InChIInChI=1S/C27H25N3O2/c1-17-13-18(2)26(19(3)14-17)30-25(31)16-28-27(32)22-15-24(20-9-5-4-6-10-20)29-23-12-8-7-11-21(22)23/h4-15H,16H2,1-3H3,(H,28,32)(H,30,31)
InChIKeyLADLMDAAKYCFEZ-UHFFFAOYSA-N
XLogP5.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide
CID 18283329
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
CID 4786592
2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
CID 9163082
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 7535629
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
2-(3-methoxyphenyl)-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 4673574
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
2-phenyl-N-prop-2-ynylquinoline-4-carboxamide
CID 17474136
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005
N-[2-oxo-2-(propylamino)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 41492842

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide (CID 26713872) is N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)c1.
What is the InChIKey of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is LADLMDAAKYCFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-17-13-18(2)26(19(3)14-17)30-25(31)16-28-27(32)22-15-24(20-9-5-4-6-10-20)29-23-12-8-7-11-21(22)23/h4-15H,16H2,1-3H3,(H,28,32)(H,30,31).
What are the key properties of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide?
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 26713872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).