3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide

C22H24N4O3 — CID 109069144

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCCCNC(=O)c1nc(C(=O)N2CCCc3ccccc32)n2ccccc12
InChIInChI=1S/C22H24N4O3/c1-29-15-7-12-23-21(27)19-18-11-4-5-13-25(18)20(24-19)22(28)26-14-6-9-16-8-2-3-10-17(16)26/h2-5,8,10-11,13H,6-7,9,12,14-15H2,1H3,(H,23,27)
InChIKeyFDKKZIOHMRLKAA-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.69
Rot. Bonds6

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109069144) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109069144
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCOCCCNC(=O)c1nc(C(=O)N2CCCc3ccccc32)n2ccccc12
InChIInChI=1S/C22H24N4O3/c1-29-15-7-12-23-21(27)19-18-11-4-5-13-25(18)20(24-19)22(28)26-14-6-9-16-8-2-3-10-17(16)26/h2-5,8,10-11,13H,6-7,9,12,14-15H2,1H3,(H,23,27)
InChIKeyFDKKZIOHMRLKAA-UHFFFAOYSA-N
XLogP2.69
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(dimethylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 109069614
N-tert-butyl-3-(2,3-dihydroindole-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071070
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635
1-(2,3-dihydroindole-1-carbonyl)-N-propylimidazo[1,5-a]pyridine-3-carboxamide
CID 109066086
azepan-1-yl-[3-(2,3-dihydroindole-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 109071728
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068824
1-N-(3-methoxypropyl)-3-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066968
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2-methoxyethyl)benzamide
CID 109052567
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 108972930
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069113
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 109133166
3-N-benzyl-1-N-(3-methoxypropyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069112

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109069144) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide is COCCCNC(=O)c1nc(C(=O)N2CCCc3ccccc32)n2ccccc12.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is FDKKZIOHMRLKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-29-15-7-12-23-21(27)19-18-11-4-5-13-25(18)20(24-19)22(28)26-14-6-9-16-8-2-3-10-17(16)26/h2-5,8,10-11,13H,6-7,9,12,14-15H2,1H3,(H,23,27).
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109069144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).