2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide

C24H29N3O4 — CID 20854365

IUPAC2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCCCOC(C)C)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H29N3O4/c1-16(2)31-13-7-12-25-24(28)19-15-23(27-20-9-6-5-8-18(19)20)26-17-10-11-21(29-3)22(14-17)30-4/h5-6,8-11,14-16H,7,12-13H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyHDSVYRGINMOXTD-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.54
Rot. Bonds10

About 2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide

2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide (PubChem CID 20854365) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide
PubChem CID20854365
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCCCOC(C)C)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H29N3O4/c1-16(2)31-13-7-12-25-24(28)19-15-23(27-20-9-6-5-8-18(19)20)26-17-10-11-21(29-3)22(14-17)30-4/h5-6,8-11,14-16H,7,12-13H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyHDSVYRGINMOXTD-UHFFFAOYSA-N
XLogP4.54
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.54
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
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
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20298122
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide
CID 24822428
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-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide
CID 10072518
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-3-[(dimethylamino)methyl]-N-methylbenzamide
CID 10097792
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methyl-4-[[methyl-[6-(methylamino)hexyl]amino]methyl]benzamide
CID 10651334

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide (CID 20854365) is 2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide is COc1ccc(Nc2cc(C(=O)NCCCOC(C)C)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide?
The InChIKey is HDSVYRGINMOXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16(2)31-13-7-12-25-24(28)19-15-23(27-20-9-6-5-8-18(19)20)26-17-10-11-21(29-3)22(14-17)30-4/h5-6,8-11,14-16H,7,12-13H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of 2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide?
2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 4.54, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-N-(3-propan-2-yloxypropyl)quinoline-4-carboxamide is sourced from PubChem (CID 20854365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).