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

C21H25N3O — CID 3742781

IUPAC1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
SMILESCCCCn1c(C)c(C(N)=O)c(-c2ccc3ccccc3n2)c1CC
InChIInChI=1S/C21H25N3O/c1-4-6-13-24-14(3)19(21(22)25)20(18(24)5-2)17-12-11-15-9-7-8-10-16(15)23-17/h7-12H,4-6,13H2,1-3H3,(H2,22,25)
InChIKeyRPOHHYABFGQLGV-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.47
Rot. Bonds6

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

1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide (PubChem CID 3742781) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
PubChem CID3742781
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
SMILESCCCCn1c(C)c(C(N)=O)c(-c2ccc3ccccc3n2)c1CC
InChIInChI=1S/C21H25N3O/c1-4-6-13-24-14(3)19(21(22)25)20(18(24)5-2)17-12-11-15-9-7-8-10-16(15)23-17/h7-12H,4-6,13H2,1-3H3,(H2,22,25)
InChIKeyRPOHHYABFGQLGV-UHFFFAOYSA-N
XLogP4.47
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3776382
5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide
CID 4985747
1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3859314
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-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
1-butyl-5-ethyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3773578
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
1-butyl-5-ethyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 5100318
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
4-(4-cyanophenyl)-5-ethyl-2-methyl-1-undecylpyrrole-3-carboxamide
CID 3864069
1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3759188

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide?
The IUPAC name of 1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide (CID 3742781) is 1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide is CCCCn1c(C)c(C(N)=O)c(-c2ccc3ccccc3n2)c1CC.
What is the InChIKey of 1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide?
The InChIKey is RPOHHYABFGQLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-4-6-13-24-14(3)19(21(22)25)20(18(24)5-2)17-12-11-15-9-7-8-10-16(15)23-17/h7-12H,4-6,13H2,1-3H3,(H2,22,25).
What are the key properties of 1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide?
1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3742781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).