4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide

C25H28N4O3 — CID 170173460

IUPAC4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide
SMILESCc1cc2nc(C(=O)NCc3ccc4cc[nH]c4c3)c(=O)n(CCCCCO)c2cc1C
InChIInChI=1S/C25H28N4O3/c1-16-12-21-22(13-17(16)2)29(10-4-3-5-11-30)25(32)23(28-21)24(31)27-15-18-6-7-19-8-9-26-20(19)14-18/h6-9,12-14,26,30H,3-5,10-11,15H2,1-2H3,(H,27,31)
InChIKeyCNPWEIOZYJMJBO-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.59
Rot. Bonds8

About 4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide

4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 170173460) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound Name4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide
PubChem CID170173460
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide
SMILESCc1cc2nc(C(=O)NCc3ccc4cc[nH]c4c3)c(=O)n(CCCCCO)c2cc1C
InChIInChI=1S/C25H28N4O3/c1-16-12-21-22(13-17(16)2)29(10-4-3-5-11-30)25(32)23(28-21)24(31)27-15-18-6-7-19-8-9-26-20(19)14-18/h6-9,12-14,26,30H,3-5,10-11,15H2,1-2H3,(H,27,31)
InChIKeyCNPWEIOZYJMJBO-UHFFFAOYSA-N
XLogP3.59
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,4-diethyl-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide
CID 53016085
N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249288
N-(1H-indol-6-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 68637667
4,5-dibromo-N-(1H-indol-6-ylmethyl)-1H-pyrrole-2-carboxamide
CID 155519985
N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide
CID 102909292
N-[(3-fluorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324640
2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide
CID 141037783
N-(1H-indol-6-ylmethyl)-2-isocyanoacetamide
CID 101429120
N-[(4-methylsulfanylphenyl)methyl]-4-[(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)methyl]benzamide
CID 46324801
N-[(4-fluorophenyl)methyl]-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028562
N-[5-(1H-indol-6-ylmethylcarbamoyl)-2-methylphenyl]-1-methylpiperidine-3-carboxamide
CID 172665416

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of 4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide (CID 170173460) is 4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for 4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for 4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide is Cc1cc2nc(C(=O)NCc3ccc4cc[nH]c4c3)c(=O)n(CCCCCO)c2cc1C.
What is the InChIKey of 4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is CNPWEIOZYJMJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16-12-21-22(13-17(16)2)29(10-4-3-5-11-30)25(32)23(28-21)24(31)27-15-18-6-7-19-8-9-26-20(19)14-18/h6-9,12-14,26,30H,3-5,10-11,15H2,1-2H3,(H,27,31).
What are the key properties of 4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide?
4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxypentyl)-N-(1H-indol-6-ylmethyl)-6,7-dimethyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 170173460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).