N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide

C27H28N4O2 — CID 20854638

IUPACN-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NCCN(C)Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C27H28N4O2/c1-31(19-20-10-4-3-5-11-20)17-16-28-27(32)22-18-26(29-23-13-7-6-12-21(22)23)30-24-14-8-9-15-25(24)33-2/h3-15,18H,16-17,19H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyYRBICFNXUJOXSY-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.85
Rot. Bonds9

About N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide

N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide (PubChem CID 20854638) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
PubChem CID20854638
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NCCN(C)Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C27H28N4O2/c1-31(19-20-10-4-3-5-11-20)17-16-28-27(32)22-18-26(29-23-13-7-6-12-21(22)23)30-24-14-8-9-15-25(24)33-2/h3-15,18H,16-17,19H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyYRBICFNXUJOXSY-UHFFFAOYSA-N
XLogP4.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[bis(2-methylpropyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 122175018
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 15990959
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990753
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2,4-dimethoxyanilino)quinoline-4-carboxamide
CID 15990816
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 92660908
N-[3-[benzyl(methyl)amino]propyl]-2-methoxybenzamide
CID 18118649
N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide
CID 71508315
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854384
2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990880
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
N-(2-methoxyphenyl)-4-methylquinolin-2-amine
CID 847633

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide (CID 20854638) is N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide is COc1ccccc1Nc1cc(C(=O)NCCN(C)Cc2ccccc2)c2ccccc2n1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide?
The InChIKey is YRBICFNXUJOXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-31(19-20-10-4-3-5-11-20)17-16-28-27(32)22-18-26(29-23-13-7-6-12-21(22)23)30-24-14-8-9-15-25(24)33-2/h3-15,18H,16-17,19H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide?
N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide is sourced from PubChem (CID 20854638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).