N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide

C25H30N4O2 — CID 15979706

IUPACN-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide
SMILESCOCCCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)N2
InChIInChI=1S/C25H30N4O2/c1-16-27-23-21(29(16)2)13-20(24(30)26-11-6-12-31-3)19-9-10-25(28-22(19)23)14-17-7-4-5-8-18(17)15-25/h4-5,7-8,13,28H,6,9-12,14-15H2,1-3H3,(H,26,30)
InChIKeyOVVLYHFPLMEQMT-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.54
Rot. Bonds5

About N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide

N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide (PubChem CID 15979706) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide
PubChem CID15979706
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide
SMILESCOCCCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)N2
InChIInChI=1S/C25H30N4O2/c1-16-27-23-21(29(16)2)13-20(24(30)26-11-6-12-31-3)19-9-10-25(28-22(19)23)14-17-7-4-5-8-18(17)15-25/h4-5,7-8,13,28H,6,9-12,14-15H2,1-3H3,(H,26,30)
InChIKeyOVVLYHFPLMEQMT-UHFFFAOYSA-N
XLogP3.54
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,2',3'-trimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide
CID 11983211
N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide
CID 25000841
N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
CID 113204340
2-benzoyl-N-(3-methoxypropyl)benzamide
CID 11841231
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109103635
1-acetyl-N-(3-methoxypropyl)indole-3-carboxamide
CID 113207832
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methoxypropyl)benzamide
CID 109045275
N-(3-methoxypropyl)-2-(5-methyltetrazol-1-yl)benzamide
CID 71709929
2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992564
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953643
2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251749

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide (CID 15979706) is N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide is COCCCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)N2.
What is the InChIKey of N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide?
The InChIKey is OVVLYHFPLMEQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-16-27-23-21(29(16)2)13-20(24(30)26-11-6-12-31-3)19-9-10-25(28-22(19)23)14-17-7-4-5-8-18(17)15-25/h4-5,7-8,13,28H,6,9-12,14-15H2,1-3H3,(H,26,30).
What are the key properties of N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide?
N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-7,9-dihydro-6H-imidazo[4,5-h]quinoline]-5'-carboxamide is sourced from PubChem (CID 15979706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).