1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide

C20H21N3O — CID 3859314

IUPAC1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccc3ccccc3n2)c(C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C20H21N3O/c1-3-17-19(16-11-8-13-6-4-5-7-15(13)22-16)18(20(21)24)12(2)23(17)14-9-10-14/h4-8,11,14H,3,9-10H2,1-2H3,(H2,21,24)
InChIKeyOHAGOLAZOLXFPV-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.01
Rot. Bonds4

About 1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide

1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide (PubChem CID 3859314) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
PubChem CID3859314
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccc3ccccc3n2)c(C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C20H21N3O/c1-3-17-19(16-11-8-13-6-4-5-7-15(13)22-16)18(20(21)24)12(2)23(17)14-9-10-14/h4-8,11,14H,3,9-10H2,1-2H3,(H2,21,24)
InChIKeyOHAGOLAZOLXFPV-UHFFFAOYSA-N
XLogP4.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3742781
5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3776382
1-cyclopropyl-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3702124
5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide
CID 4985747
1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3804742
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3855914
1-cyclooctyl-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3870481
1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3729418
methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate
CID 3736082
1-cyclopropyl-5-ethyl-4-methylimidazole-2-carboxylic acid
CID 83847442
1-cyclooctyl-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3602922
methyl 3-[3-(4-tert-butylphenyl)-4-carbamoyl-1-cyclopropyl-5-methylpyrrol-2-yl]propanoate
CID 3685626

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide (CID 3859314) is 1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide is CCc1c(-c2ccc3ccccc3n2)c(C(N)=O)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide?
The InChIKey is OHAGOLAZOLXFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-3-17-19(16-11-8-13-6-4-5-7-15(13)22-16)18(20(21)24)12(2)23(17)14-9-10-14/h4-8,11,14H,3,9-10H2,1-2H3,(H2,21,24).
What are the key properties of 1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide?
1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3859314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).