1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide

C17H17N3O — CID 110691327

IUPAC1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3cccnc23)c(C)n1C
InChIInChI=1S/C17H17N3O/c1-11-10-14(12(2)20(11)3)17(21)19-15-8-4-6-13-7-5-9-18-16(13)15/h4-10H,1-3H3,(H,19,21)
InChIKeyPJNDROGNGREEFB-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds2

About 1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide

1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide (PubChem CID 110691327) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
PubChem CID110691327
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc3cccnc23)c(C)n1C
InChIInChI=1S/C17H17N3O/c1-11-10-14(12(2)20(11)3)17(21)19-15-8-4-6-13-7-5-9-18-16(13)15/h4-10H,1-3H3,(H,19,21)
InChIKeyPJNDROGNGREEFB-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide
CID 110765475
2-chloro-N-quinolin-8-ylfuran-3-carboxamide
CID 106685180
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
1,3-dimethyl-N-quinolin-8-ylindole-2-carboxamide
CID 113204473
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
5-methyl-N-quinolin-8-ylthiophene-3-carboxamide
CID 166451949
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
4-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846864
2,7-dimethyl-N-quinolin-8-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110863548
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
CID 24710942
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide?
The IUPAC name of 1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide (CID 110691327) is 1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide?
The canonical SMILES for 1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2cccc3cccnc23)c(C)n1C.
What is the InChIKey of 1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide?
The InChIKey is PJNDROGNGREEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-10-14(12(2)20(11)3)17(21)19-15-8-4-6-13-7-5-9-18-16(13)15/h4-10H,1-3H3,(H,19,21).
What are the key properties of 1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide?
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide is sourced from PubChem (CID 110691327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).