6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one

C51H37BrClN5O2 — CID 159503440

IUPAC6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one
SMILESClc1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2n1.O=c1ccc2cc(Br)ccc2[nH]1.O=c1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2[nH]1
InChIInChI=1S/C21H15ClN2.C21H16N2O.C9H6BrNO/c22-21-14-11-16-15-19(12-13-20(16)23-21)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18;24-21-14-11-16-15-19(12-13-20(16)22-21)23(17-7-3-1-4-8-17)18-9-5-2-6-10-18;10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-15H;1-15H,(H,22,24);1-5H,(H,11,12)
InChIKeyLZRHRVVATWFSAM-UHFFFAOYSA-N
MW867.25 g/mol
LogP13.65
Rot. Bonds6

About 6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one

6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one (PubChem CID 159503440) has the molecular formula C51H37BrClN5O2 and a molecular weight of 867.25 g/mol. Its IUPAC name is 6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one
PubChem CID159503440
Molecular FormulaC51H37BrClN5O2
Molecular Weight867.25 g/mol
Exact Mass865.18
IUPAC Name6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one
SMILESClc1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2n1.O=c1ccc2cc(Br)ccc2[nH]1.O=c1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2[nH]1
InChIInChI=1S/C21H15ClN2.C21H16N2O.C9H6BrNO/c22-21-14-11-16-15-19(12-13-20(16)23-21)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18;24-21-14-11-16-15-19(12-13-20(16)22-21)23(17-7-3-1-4-8-17)18-9-5-2-6-10-18;10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-15H;1-15H,(H,22,24);1-5H,(H,11,12)
InChIKeyLZRHRVVATWFSAM-UHFFFAOYSA-N
XLogP13.65
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.25
LogP ≤ 513.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-methylquinoline;6-methyl-1H-quinolin-2-one
CID 158866664
6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one
CID 87438206
1-N,5-N-bis(6-bromonaphthalen-2-yl)-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 59575239
N,N,2-triphenyl-1H-indol-5-amine
CID 154936544
2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid
CID 117099443
N,N-diphenyl-6-[6-[6-(N-phenylanilino)naphthalen-2-yl]anthracen-2-yl]naphthalen-2-amine
CID 58690845
N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 159944394
6-(4-chlorophenyl)-1H-quinolin-2-one
CID 67364248
2-chloro-8-phenylmethoxyquinoline;1H-quinolin-2-one
CID 160714848
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
1H-benzo[g]quinolin-2-one
CID 19597016
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one?
The IUPAC name of 6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one (CID 159503440) is 6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one is Clc1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2n1.O=c1ccc2cc(Br)ccc2[nH]1.O=c1ccc2cc(N(c3ccccc3)c3ccccc3)ccc2[nH]1.
What is the InChIKey of 6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one?
The InChIKey is LZRHRVVATWFSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2.C21H16N2O.C9H6BrNO/c22-21-14-11-16-15-19(12-13-20(16)23-21)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18;24-21-14-11-16-15-19(12-13-20(16)22-21)23(17-7-3-1-4-8-17)18-9-5-2-6-10-18;10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-15H;1-15H,(H,22,24);1-5H,(H,11,12).
What are the key properties of 6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one?
6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one has a molecular weight of 867.25 g/mol, XLogP of 13.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-quinolin-2-one;2-chloro-N,N-diphenylquinolin-6-amine;6-(N-phenylanilino)-1H-quinolin-2-one is sourced from PubChem (CID 159503440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).