1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide

C19H20BrN3O — CID 101238923

IUPAC1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cccn1Cc1cc2ccccc2nc1Br
InChIInChI=1S/C19H20BrN3O/c1-3-22(4-2)19(24)17-10-7-11-23(17)13-15-12-14-8-5-6-9-16(14)21-18(15)20/h5-12H,3-4,13H2,1-2H3
InChIKeyURNPJJXXRSMCFW-UHFFFAOYSA-N
MW386.29 g/mol
LogP4.33
Rot. Bonds5

About 1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide

1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide (PubChem CID 101238923) has the molecular formula C19H20BrN3O and a molecular weight of 386.29 g/mol. Its IUPAC name is 1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide
PubChem CID101238923
Molecular FormulaC19H20BrN3O
Molecular Weight386.29 g/mol
Exact Mass385.08
IUPAC Name1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1cccn1Cc1cc2ccccc2nc1Br
InChIInChI=1S/C19H20BrN3O/c1-3-22(4-2)19(24)17-10-7-11-23(17)13-15-12-14-8-5-6-9-16(14)21-18(15)20/h5-12H,3-4,13H2,1-2H3
InChIKeyURNPJJXXRSMCFW-UHFFFAOYSA-N
XLogP4.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-[(2-iodophenyl)methyl]pyrrole-2-carboxamide
CID 15470746
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylacetamide
CID 857646
2-[(2-bromoquinolin-3-yl)methyl]-5-(ethoxymethyl)isoquinolin-1-one
CID 11452977
N,N-diethyl-1-methylpyrrole-2-carboxamide
CID 60654004
N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609486
N,N-diethyl-3-phenylquinoline-2-carboxamide
CID 24845781
2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325083
2-(3-benzylquinolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 1440326
N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609488
2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325234
2-bromo-3-(2-chloroethyl)quinoline
CID 116985321
methyl 1-(quinolin-4-ylmethyl)pyrrole-2-carboxylate
CID 154695130

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide?
The IUPAC name of 1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide (CID 101238923) is 1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide.
What is the SMILES notation for 1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide?
The canonical SMILES for 1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide is CCN(CC)C(=O)c1cccn1Cc1cc2ccccc2nc1Br.
What is the InChIKey of 1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide?
The InChIKey is URNPJJXXRSMCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O/c1-3-22(4-2)19(24)17-10-7-11-23(17)13-15-12-14-8-5-6-9-16(14)21-18(15)20/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide?
1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide has a molecular weight of 386.29 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromoquinolin-3-yl)methyl]-N,N-diethylpyrrole-2-carboxamide is sourced from PubChem (CID 101238923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).