N-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide

C26H34N4O3 — CID 20854372

IUPACN-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide
SMILESCCCCN(C)CCCNC(=O)c1cc(Nc2ccc(OC)c(OC)c2)nc2ccccc12
InChIInChI=1S/C26H34N4O3/c1-5-6-15-30(2)16-9-14-27-26(31)21-18-25(29-22-11-8-7-10-20(21)22)28-19-12-13-23(32-3)24(17-19)33-4/h7-8,10-13,17-18H,5-6,9,14-16H2,1-4H3,(H,27,31)(H,28,29)
InChIKeyRNVZZNAMMLTQSM-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.85
Rot. Bonds12

About N-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide

N-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide (PubChem CID 20854372) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide
PubChem CID20854372
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide
SMILESCCCCN(C)CCCNC(=O)c1cc(Nc2ccc(OC)c(OC)c2)nc2ccccc12
InChIInChI=1S/C26H34N4O3/c1-5-6-15-30(2)16-9-14-27-26(31)21-18-25(29-22-11-8-7-10-20(21)22)28-19-12-13-23(32-3)24(17-19)33-4/h7-8,10-13,17-18H,5-6,9,14-16H2,1-4H3,(H,27,31)(H,28,29)
InChIKeyRNVZZNAMMLTQSM-UHFFFAOYSA-N
XLogP4.85
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Lotamilast
CID 24864553
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CID 6447063
2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
CID 615754
Aurora Kinase Inhibitor II
CID 6610278
N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
CID 9550693
CID 129896910
CID 129896910
N-{4-[(7-Hydroxy-6-Methoxyquinazolin-4-Yl)amino]phenyl}benzamide
CID 135566704
[4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 13064300
4-(4-amino-6,7-dimethoxyquinolin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 14069011
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-butylpiperidine-4-carboxamide
CID 20298104
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20298122
3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide
CID 12005317

Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide?
The IUPAC name of N-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide (CID 20854372) is N-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide?
The canonical SMILES for N-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide is CCCCN(C)CCCNC(=O)c1cc(Nc2ccc(OC)c(OC)c2)nc2ccccc12.
What is the InChIKey of N-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide?
The InChIKey is RNVZZNAMMLTQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-5-6-15-30(2)16-9-14-27-26(31)21-18-25(29-22-11-8-7-10-20(21)22)28-19-12-13-23(32-3)24(17-19)33-4/h7-8,10-13,17-18H,5-6,9,14-16H2,1-4H3,(H,27,31)(H,28,29).
What are the key properties of N-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide?
N-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 4.85, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(methyl)amino]propyl]-2-(3,4-dimethoxyanilino)quinoline-4-carboxamide is sourced from PubChem (CID 20854372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).