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

C31H36N4O — CID 20854615

IUPACN-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide
SMILESCCN(CCCNC(=O)c1cc(Nc2ccc(C(C)C)cc2)nc2ccccc12)c1cccc(C)c1
InChIInChI=1S/C31H36N4O/c1-5-35(26-11-8-10-23(4)20-26)19-9-18-32-31(36)28-21-30(34-29-13-7-6-12-27(28)29)33-25-16-14-24(15-17-25)22(2)3/h6-8,10-17,20-22H,5,9,18-19H2,1-4H3,(H,32,36)(H,33,34)
InChIKeyCDODERIMYCFXCM-UHFFFAOYSA-N
MW480.66 g/mol
LogP7.06
Rot. Bonds10

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

N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide (PubChem CID 20854615) has the molecular formula C31H36N4O and a molecular weight of 480.66 g/mol. Its IUPAC name is N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide
PubChem CID20854615
Molecular FormulaC31H36N4O
Molecular Weight480.66 g/mol
Exact Mass480.29
IUPAC NameN-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide
SMILESCCN(CCCNC(=O)c1cc(Nc2ccc(C(C)C)cc2)nc2ccccc12)c1cccc(C)c1
InChIInChI=1S/C31H36N4O/c1-5-35(26-11-8-10-23(4)20-26)19-9-18-32-31(36)28-21-30(34-29-13-7-6-12-27(28)29)33-25-16-14-24(15-17-25)22(2)3/h6-8,10-17,20-22H,5,9,18-19H2,1-4H3,(H,32,36)(H,33,34)
InChIKeyCDODERIMYCFXCM-UHFFFAOYSA-N
XLogP7.06
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 57.06
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-butylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide
CID 20854620
2-(2-ethylanilino)-N-[3-(N-ethyl-3-methylanilino)propyl]quinoline-4-carboxamide
CID 20854476
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide
CID 20854614
N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
CID 26035305
N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide
CID 117079660
N-[3-(N-ethyl-3-methylanilino)propyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide
CID 22422389
N-[3-(N-ethylanilino)propyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide
CID 5123544
N-butyl-2-(3-methylsulfanylanilino)quinoline-4-carboxamide
CID 15997804
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 20854390
2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3596091
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 20854553
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide?
The IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide (CID 20854615) is N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide?
The canonical SMILES for N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide is CCN(CCCNC(=O)c1cc(Nc2ccc(C(C)C)cc2)nc2ccccc12)c1cccc(C)c1.
What is the InChIKey of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide?
The InChIKey is CDODERIMYCFXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O/c1-5-35(26-11-8-10-23(4)20-26)19-9-18-32-31(36)28-21-30(34-29-13-7-6-12-27(28)29)33-25-16-14-24(15-17-25)22(2)3/h6-8,10-17,20-22H,5,9,18-19H2,1-4H3,(H,32,36)(H,33,34).
What are the key properties of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide?
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide has a molecular weight of 480.66 g/mol, XLogP of 7.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-propan-2-ylanilino)quinoline-4-carboxamide is sourced from PubChem (CID 20854615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).