2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide

C19H15BrN2O — CID 1012197

IUPAC2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C19H15BrN2O/c20-13-7-5-12(6-8-13)18-11-16(19(23)21-14-9-10-14)15-3-1-2-4-17(15)22-18/h1-8,11,14H,9-10H2,(H,21,23)
InChIKeyMKFCMILGIPRINR-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.56
Rot. Bonds3

About 2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide

2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide (PubChem CID 1012197) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide
PubChem CID1012197
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Name2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide
SMILESO=C(NC1CC1)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C19H15BrN2O/c20-13-7-5-12(6-8-13)18-11-16(19(23)21-14-9-10-14)15-3-1-2-4-17(15)22-18/h1-8,11,14H,9-10H2,(H,21,23)
InChIKeyMKFCMILGIPRINR-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

SB 222200
CID 6604009
Gsk2193874
CID 53464483
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
2-(4-Aminophenyl)-6-bromoquinoline-4-carbohydrazide
CID 1379186
5-(3-Methyl-1-triazeno)imidazole-4-carboxamide
CID 44570859
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
2-Chloro-N-cyclopropyl-4-quinolinecarboxamide
CID 7131550
3-Amino-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
CID 44266459
N-[(2-methylquinolin-4-yl)methyl]-2-phenylacetamide
CID 1504523
6-Bromo-2-phenylquinoline-4-carboxamide
CID 2803005
Cambridge id 7007502
CID 753478
4-bromo-N-quinolin-7-ylbenzamide
CID 831408

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide (CID 1012197) is 2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide is O=C(NC1CC1)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide?
The InChIKey is MKFCMILGIPRINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O/c20-13-7-5-12(6-8-13)18-11-16(19(23)21-14-9-10-14)15-3-1-2-4-17(15)22-18/h1-8,11,14H,9-10H2,(H,21,23).
What are the key properties of 2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide?
2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide has a molecular weight of 367.25 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 1012197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).