1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide

C23H23N3O — CID 66827351

IUPAC1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide
SMILESCCCC(C)n1ccc2cc(C(=O)Nc3cnc4ccccc4c3)ccc21
InChIInChI=1S/C23H23N3O/c1-3-6-16(2)26-12-11-18-13-19(9-10-22(18)26)23(27)25-20-14-17-7-4-5-8-21(17)24-15-20/h4-5,7-16H,3,6H2,1-2H3,(H,25,27)
InChIKeyFPWNJZNHBMVRPY-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.80
Rot. Bonds5

About 1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide

1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide (PubChem CID 66827351) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide.

Molecular Properties

Compound Name1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide
PubChem CID66827351
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide
SMILESCCCC(C)n1ccc2cc(C(=O)Nc3cnc4ccccc4c3)ccc21
InChIInChI=1S/C23H23N3O/c1-3-6-16(2)26-12-11-18-13-19(9-10-22(18)26)23(27)25-20-14-17-7-4-5-8-21(17)24-15-20/h4-5,7-16H,3,6H2,1-2H3,(H,25,27)
InChIKeyFPWNJZNHBMVRPY-UHFFFAOYSA-N
XLogP5.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-quinolin-3-ylindole-5-carboxamide
CID 66815788
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
1,3-dimethyl-2,4-dioxo-N-quinolin-3-ylquinazoline-6-carboxamide
CID 5302815
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
3-(dipropylamino)-N-quinolin-3-ylbenzamide
CID 66815676
1-methyl-N-quinolin-3-yl-2,3-dihydroindole-5-carboxamide
CID 10447706
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
4-[3,7-dimethyloct-6-enyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66815493
4-[[(3R)-3,7-dimethyloct-6-enyl]-methylamino]-N-quinolin-3-ylbenzamide
CID 66815492
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66816166
4-(2,6-dimethylmorpholin-4-yl)-N-quinolin-3-ylbenzamide
CID 10406295

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide?
The IUPAC name of 1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide (CID 66827351) is 1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide.
What is the SMILES notation for 1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide?
The canonical SMILES for 1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide is CCCC(C)n1ccc2cc(C(=O)Nc3cnc4ccccc4c3)ccc21.
What is the InChIKey of 1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide?
The InChIKey is FPWNJZNHBMVRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-3-6-16(2)26-12-11-18-13-19(9-10-22(18)26)23(27)25-20-14-17-7-4-5-8-21(17)24-15-20/h4-5,7-16H,3,6H2,1-2H3,(H,25,27).
What are the key properties of 1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide?
1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-yl-N-quinolin-3-ylindole-5-carboxamide is sourced from PubChem (CID 66827351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).