1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide

C23H20ClN3O — CID 3855914

IUPAC1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc3ccccc3n2)c(C)n1Cc1cccc(Cl)c1
InChIInChI=1S/C23H20ClN3O/c1-14-21(20-11-10-17-7-3-4-9-19(17)26-20)22(23(25)28)15(2)27(14)13-16-6-5-8-18(24)12-16/h3-12H,13H2,1-2H3,(H2,25,28)
InChIKeyPIFSYYQNCGLVHA-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.12
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide

1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide (PubChem CID 3855914) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide
PubChem CID3855914
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)c(-c2ccc3ccccc3n2)c(C)n1Cc1cccc(Cl)c1
InChIInChI=1S/C23H20ClN3O/c1-14-21(20-11-10-17-7-3-4-9-19(17)26-20)22(23(25)28)15(2)27(14)13-16-6-5-8-18(24)12-16/h3-12H,13H2,1-2H3,(H2,25,28)
InChIKeyPIFSYYQNCGLVHA-UHFFFAOYSA-N
XLogP5.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.12
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
1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3804742
1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
1-[(3-chlorophenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168469
methyl 3-[4-carbamoyl-3-(2-chlorophenyl)-1-[(3-chlorophenyl)methyl]-5-methylpyrrol-2-yl]propanoate
CID 3803967
6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide
CID 3790292
1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3702538
4-(4-bromophenyl)-5-butyl-1-[(3-chlorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3287721
1-[(4-chlorophenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491442
1-[(3-chlorophenyl)methyl]-2-methyl-5-pentyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3415171
1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide
CID 3416100
1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 4669918

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide (CID 3855914) is 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide is Cc1c(C(N)=O)c(-c2ccc3ccccc3n2)c(C)n1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide?
The InChIKey is PIFSYYQNCGLVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-14-21(20-11-10-17-7-3-4-9-19(17)26-20)22(23(25)28)15(2)27(14)13-16-6-5-8-18(24)12-16/h3-12H,13H2,1-2H3,(H2,25,28).
What are the key properties of 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide?
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide has a molecular weight of 389.89 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 3855914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).