N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide

C19H16BrClN2O2 — CID 39851504

IUPACN-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C19H16BrClN2O2/c1-11(2)23-10-16(18(24)15-9-13(21)6-7-17(15)23)19(25)22-14-5-3-4-12(20)8-14/h3-11H,1-2H3,(H,22,25)
InChIKeyQVOFUGBHYFMHJA-UHFFFAOYSA-N
MW419.71 g/mol
LogP5.25
Rot. Bonds3

About N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide

N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide (PubChem CID 39851504) has the molecular formula C19H16BrClN2O2 and a molecular weight of 419.71 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide
PubChem CID39851504
Molecular FormulaC19H16BrClN2O2
Molecular Weight419.71 g/mol
Exact Mass418.01
IUPAC NameN-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C19H16BrClN2O2/c1-11(2)23-10-16(18(24)15-9-13(21)6-7-17(15)23)19(25)22-14-5-3-4-12(20)8-14/h3-11H,1-2H3,(H,22,25)
InChIKeyQVOFUGBHYFMHJA-UHFFFAOYSA-N
XLogP5.25
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.71
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-carbamoylphenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 39851443
6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 39851401
N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831943
ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39851502
N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43639199
3,5-dichloro-1-propan-2-ylindole
CID 166553086
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
5-bromo-N-(3-chlorophenyl)-2-propan-2-yloxybenzamide
CID 17051414
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
3-[(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)amino]benzoic acid
CID 43640030

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide (CID 39851504) is N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide is CC(C)n1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
The InChIKey is QVOFUGBHYFMHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2O2/c1-11(2)23-10-16(18(24)15-9-13(21)6-7-17(15)23)19(25)22-14-5-3-4-12(20)8-14/h3-11H,1-2H3,(H,22,25).
What are the key properties of N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide?
N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide has a molecular weight of 419.71 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 39851504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).