2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide

C30H34N4O — CID 20854476

IUPAC2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)NCCCN(CC)c2cccc(C)c2)c2ccccc2n1
InChIInChI=1S/C30H34N4O/c1-4-23-13-6-8-16-27(23)32-29-21-26(25-15-7-9-17-28(25)33-29)30(35)31-18-11-19-34(5-2)24-14-10-12-22(3)20-24/h6-10,12-17,20-21H,4-5,11,18-19H2,1-3H3,(H,31,35)(H,32,33)
InChIKeyQNHGNFKVURABGS-UHFFFAOYSA-N
MW466.63 g/mol
LogP6.50
Rot. Bonds10

About 2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide

2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide (PubChem CID 20854476) has the molecular formula C30H34N4O and a molecular weight of 466.63 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide
PubChem CID20854476
Molecular FormulaC30H34N4O
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC Name2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide
SMILESCCc1ccccc1Nc1cc(C(=O)NCCCN(CC)c2cccc(C)c2)c2ccccc2n1
InChIInChI=1S/C30H34N4O/c1-4-23-13-6-8-16-27(23)32-29-21-26(25-15-7-9-17-28(25)33-29)30(35)31-18-11-19-34(5-2)24-14-10-12-22(3)20-24/h6-10,12-17,20-21H,4-5,11,18-19H2,1-3H3,(H,31,35)(H,32,33)
InChIKeyQNHGNFKVURABGS-UHFFFAOYSA-N
XLogP6.50
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide
CID 20854615
N-[3-(N-ethyl-3-methylanilino)propyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
CID 22422389
N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
CID 26035305
N-[3-(N-butylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide
CID 20854620
N-[3-(N-ethylanilino)propyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 5123544
N-[3-[bis(2-methylpropyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 122175018
6-benzyl-N-[3-(N-ethyl-3-methylanilino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3393283
2-(2,4-dimethylanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990880
N-[3-(N-ethyl-3-methylanilino)propyl]-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 4062779
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
N-[3-(N-ethyl-3-methylanilino)propyl]-7-methylfuro[2,3-b]quinoline-2-carboxamide
CID 20853528

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide (CID 20854476) is 2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide is CCc1ccccc1Nc1cc(C(=O)NCCCN(CC)c2cccc(C)c2)c2ccccc2n1.
What is the InChIKey of 2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide?
The InChIKey is QNHGNFKVURABGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O/c1-4-23-13-6-8-16-27(23)32-29-21-26(25-15-7-9-17-28(25)33-29)30(35)31-18-11-19-34(5-2)24-14-10-12-22(3)20-24/h6-10,12-17,20-21H,4-5,11,18-19H2,1-3H3,(H,31,35)(H,32,33).
What are the key properties of 2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide?
2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide has a molecular weight of 466.63 g/mol, XLogP of 6.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 20854476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).