5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide

C22H23N5O — CID 3776382

IUPAC5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccc3ccccc3n2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C22H23N5O/c1-3-19-21(18-9-8-15-6-4-5-7-17(15)26-18)20(22(23)28)14(2)27(19)11-10-16-12-24-13-25-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,23,28)(H,24,25)
InChIKeyTWZDMDCEKVVCBK-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.64
Rot. Bonds6

About 5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide

5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide (PubChem CID 3776382) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
PubChem CID3776382
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
SMILESCCc1c(-c2ccc3ccccc3n2)c(C(N)=O)c(C)n1CCc1cnc[nH]1
InChIInChI=1S/C22H23N5O/c1-3-19-21(18-9-8-15-6-4-5-7-17(15)26-18)20(22(23)28)14(2)27(19)11-10-16-12-24-13-25-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,23,28)(H,24,25)
InChIKeyTWZDMDCEKVVCBK-UHFFFAOYSA-N
XLogP3.64
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3742781
5-ethyl-4-(4-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3254803
5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3423935
5-ethyl-4-(3-hydroxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3831204
1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3830805
1-cyclopropyl-5-ethyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3859314
4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3691039
5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
CID 3849110
4-[4-(dimethylamino)phenyl]-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3741634
5-butyl-4-(4-cyanophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3741402
5-butyl-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-quinolin-2-ylpyrrole-3-carboxamide
CID 4985747
2-[5-benzylsulfanyl-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]quinoline
CID 142471869

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide?
The IUPAC name of 5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide (CID 3776382) is 5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide is CCc1c(-c2ccc3ccccc3n2)c(C(N)=O)c(C)n1CCc1cnc[nH]1.
What is the InChIKey of 5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide?
The InChIKey is TWZDMDCEKVVCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-3-19-21(18-9-8-15-6-4-5-7-17(15)26-18)20(22(23)28)14(2)27(19)11-10-16-12-24-13-25-16/h4-9,12-13H,3,10-11H2,1-2H3,(H2,23,28)(H,24,25).
What are the key properties of 5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide?
5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3776382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).