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

C29H32N4O2 — CID 15990782

IUPACN-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
SMILESCCN(CCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc12)c1cccc(C)c1
InChIInChI=1S/C29H32N4O2/c1-4-33(23-10-7-9-21(2)19-23)18-8-17-30-29(34)26-20-28(32-27-12-6-5-11-25(26)27)31-22-13-15-24(35-3)16-14-22/h5-7,9-16,19-20H,4,8,17-18H2,1-3H3,(H,30,34)(H,31,32)
InChIKeyIKSMEZGMXOQNNE-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.94
Rot. Bonds10

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

N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide (PubChem CID 15990782) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
PubChem CID15990782
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
SMILESCCN(CCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc12)c1cccc(C)c1
InChIInChI=1S/C29H32N4O2/c1-4-33(23-10-7-9-21(2)19-23)18-8-17-30-29(34)26-20-28(32-27-12-6-5-11-25(26)27)31-22-13-15-24(35-3)16-14-22/h5-7,9-16,19-20H,4,8,17-18H2,1-3H3,(H,30,34)(H,31,32)
InChIKeyIKSMEZGMXOQNNE-UHFFFAOYSA-N
XLogP5.94
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide with MolForge

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Related Compounds

Ssr161421
CID 10201497
N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
CID 9550693
4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide
CID 10760609
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3,5-dimethoxybenzamide
CID 15987645
3-methoxy-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]benzamide
CID 4219491
3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide
CID 12005317
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide
CID 15987793
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-oxochromene-2-carboxamide
CID 44403736
(E)-N-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-3-(4-methoxy-phenyl)-acrylamide
CID 44403742
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 4147575
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-2-[(6-aminohexylamino)methyl]-N-methylbenzamide
CID 10745791
N-(2-methoxybenzyl)-2-methylquinoline-4-carboxamide
CID 2713353

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide?
The IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide (CID 15990782) is N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide?
The canonical SMILES for N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide is CCN(CCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc12)c1cccc(C)c1.
What is the InChIKey of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide?
The InChIKey is IKSMEZGMXOQNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-4-33(23-10-7-9-21(2)19-23)18-8-17-30-29(34)26-20-28(32-27-12-6-5-11-25(26)27)31-22-13-15-24(35-3)16-14-22/h5-7,9-16,19-20H,4,8,17-18H2,1-3H3,(H,30,34)(H,31,32).
What are the key properties of N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide?
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 5.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4-methoxyanilino)quinoline-4-carboxamide is sourced from PubChem (CID 15990782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).