2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide

C17H17N3O — CID 136544094

IUPAC2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide
SMILESCCc1c(C(=O)Nc2cccc3ncccc23)ccn1C
InChIInChI=1S/C17H17N3O/c1-3-16-13(9-11-20(16)2)17(21)19-15-8-4-7-14-12(15)6-5-10-18-14/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyXJVDWRIGYQDNHC-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.39
Rot. Bonds3

About 2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide

2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide (PubChem CID 136544094) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide
PubChem CID136544094
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide
SMILESCCc1c(C(=O)Nc2cccc3ncccc23)ccn1C
InChIInChI=1S/C17H17N3O/c1-3-16-13(9-11-20(16)2)17(21)19-15-8-4-7-14-12(15)6-5-10-18-14/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyXJVDWRIGYQDNHC-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
2,4-dihydroxy-5-propan-2-yl-N-quinolin-5-ylbenzamide
CID 146316406
4-[(1-methylimidazol-2-yl)methoxy]-N-quinolin-5-ylbenzamide
CID 55736145
2,3,4-trifluoro-N-quinolin-5-ylbenzamide
CID 110868233
2-chloro-N-quinolin-5-ylfuran-3-carboxamide
CID 106685203
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
CID 73213052
CID 73213052
4-(diethylamino)-N-quinolin-5-ylbenzamide
CID 112767915
2-bromo-5-methyl-N-quinolin-5-ylbenzamide
CID 80955712
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
N-quinolin-5-yl-1H-pyrazole-5-carboxamide
CID 47177311
methyl N-quinolin-5-ylcarbamate
CID 110734012

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide?
The IUPAC name of 2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide (CID 136544094) is 2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide?
The canonical SMILES for 2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide is CCc1c(C(=O)Nc2cccc3ncccc23)ccn1C.
What is the InChIKey of 2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide?
The InChIKey is XJVDWRIGYQDNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-16-13(9-11-20(16)2)17(21)19-15-8-4-7-14-12(15)6-5-10-18-14/h4-11H,3H2,1-2H3,(H,19,21).
What are the key properties of 2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide?
2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-N-quinolin-5-ylpyrrole-3-carboxamide is sourced from PubChem (CID 136544094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).