4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide

C18H17N3O2 — CID 32838268

IUPAC4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2cnc3ccccc3c2)c1C
InChIInChI=1S/C18H17N3O2/c1-10-16(12(3)22)11(2)20-17(10)18(23)21-14-8-13-6-4-5-7-15(13)19-9-14/h4-9,20H,1-3H3,(H,21,23)
InChIKeyYAWNNWUXTFKQIE-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.63
Rot. Bonds3

About 4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide (PubChem CID 32838268) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide
PubChem CID32838268
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2cnc3ccccc3c2)c1C
InChIInChI=1S/C18H17N3O2/c1-10-16(12(3)22)11(2)20-17(10)18(23)21-14-8-13-6-4-5-7-15(13)19-9-14/h4-9,20H,1-3H3,(H,21,23)
InChIKeyYAWNNWUXTFKQIE-UHFFFAOYSA-N
XLogP3.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-trimethyl-N-quinolin-3-ylfuran-3-carboxamide
CID 32840046
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 36567496
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679
2-ethyl-3-methyl-N-quinolin-3-ylquinoline-4-carboxamide
CID 52553649
2-methyl-3-nitro-N-quinolin-3-ylbenzamide
CID 4079471
methyl N-quinolin-3-ylcarbamate
CID 19697860
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide
CID 64523845
4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3239225
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 115330770

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide (CID 32838268) is 4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2cnc3ccccc3c2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide?
The InChIKey is YAWNNWUXTFKQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-10-16(12(3)22)11(2)20-17(10)18(23)21-14-8-13-6-4-5-7-15(13)19-9-14/h4-9,20H,1-3H3,(H,21,23).
What are the key properties of 4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 32838268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).