2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide

C17H13BrN2O2 — CID 22146664

IUPAC2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide
SMILESCOc1c(Br)nc2ccccc2c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H13BrN2O2/c1-22-15-14(17(21)19-11-7-3-2-4-8-11)12-9-5-6-10-13(12)20-16(15)18/h2-10H,1H3,(H,19,21)
InChIKeyPIUIGUOAYKMISU-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.26
Rot. Bonds3

About 2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide

2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide (PubChem CID 22146664) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide
PubChem CID22146664
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide
SMILESCOc1c(Br)nc2ccccc2c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H13BrN2O2/c1-22-15-14(17(21)19-11-7-3-2-4-8-11)12-9-5-6-10-13(12)20-16(15)18/h2-10H,1H3,(H,19,21)
InChIKeyPIUIGUOAYKMISU-UHFFFAOYSA-N
XLogP4.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide
CID 22146631
ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide
CID 22146630
3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide
CID 163283697
2,4-dichloro-N-phenylquinoline-3-carboxamide
CID 2786668
N-(4-methoxyphenyl)anthracene-9-carboxamide
CID 86045651
ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide
CID 22146675
methyl acridine-9-carboxylate
CID 21211
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide
CID 87396074
N-(3-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862180
methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
CID 9247815
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide?
The IUPAC name of 2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide (CID 22146664) is 2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide.
What is the SMILES notation for 2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide?
The canonical SMILES for 2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide is COc1c(Br)nc2ccccc2c1C(=O)Nc1ccccc1.
What is the InChIKey of 2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide?
The InChIKey is PIUIGUOAYKMISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-22-15-14(17(21)19-11-7-3-2-4-8-11)12-9-5-6-10-13(12)20-16(15)18/h2-10H,1H3,(H,19,21).
What are the key properties of 2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide?
2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide has a molecular weight of 357.21 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide is sourced from PubChem (CID 22146664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).