1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide

C20H17N3O — CID 113204473

IUPAC1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc3cccnc23)n(C)c2ccccc12
InChIInChI=1S/C20H17N3O/c1-13-15-9-3-4-11-17(15)23(2)19(13)20(24)22-16-10-5-7-14-8-6-12-21-18(14)16/h3-12H,1-2H3,(H,22,24)
InChIKeyLCGXTLWUXOHCKM-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.29
Rot. Bonds2

About 1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide

1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide (PubChem CID 113204473) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide
PubChem CID113204473
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc3cccnc23)n(C)c2ccccc12
InChIInChI=1S/C20H17N3O/c1-13-15-9-3-4-11-17(15)23(2)19(13)20(24)22-16-10-5-7-14-8-6-12-21-18(14)16/h3-12H,1-2H3,(H,22,24)
InChIKeyLCGXTLWUXOHCKM-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 132837940
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
CID 110691327
1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide
CID 110765475
N-(2-methoxy-5-methylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204445
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
3-methyl-N-quinolin-8-ylfuran-2-carboxamide
CID 17461248
5-methyl-N-quinolin-8-ylthiophene-3-carboxamide
CID 166451949
6-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103186933
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
2-(3-methyl-2-oxoquinolin-1-yl)-N-quinolin-8-ylacetamide
CID 110680398
N-quinolin-8-yl-9H-carbazole-1-carboxamide
CID 66606498
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide?
The IUPAC name of 1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide (CID 113204473) is 1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide is Cc1c(C(=O)Nc2cccc3cccnc23)n(C)c2ccccc12.
What is the InChIKey of 1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide?
The InChIKey is LCGXTLWUXOHCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13-15-9-3-4-11-17(15)23(2)19(13)20(24)22-16-10-5-7-14-8-6-12-21-18(14)16/h3-12H,1-2H3,(H,22,24).
What are the key properties of 1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide?
1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide is sourced from PubChem (CID 113204473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).