6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one

C34H23Cl2NO — CID 174422951

IUPAC6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CC(c2ccccc2Cl)c2cc(Cl)ccc2N1Cc1cccc2c1ccc1c3ccccc3ccc21
InChIInChI=1S/C34H23Cl2NO/c35-23-13-17-33-31(18-23)30(29-9-3-4-11-32(29)36)19-34(38)37(33)20-22-7-5-10-26-25(22)15-16-27-24-8-2-1-6-21(24)12-14-28(26)27/h1-18,30H,19-20H2
InChIKeyUZAJNCHVBQFJJL-UHFFFAOYSA-N
MW532.47 g/mol
LogP9.52
Rot. Bonds3

About 6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one

6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one (PubChem CID 174422951) has the molecular formula C34H23Cl2NO and a molecular weight of 532.47 g/mol. Its IUPAC name is 6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one
PubChem CID174422951
Molecular FormulaC34H23Cl2NO
Molecular Weight532.47 g/mol
Exact Mass531.12
IUPAC Name6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CC(c2ccccc2Cl)c2cc(Cl)ccc2N1Cc1cccc2c1ccc1c3ccccc3ccc21
InChIInChI=1S/C34H23Cl2NO/c35-23-13-17-33-31(18-23)30(29-9-3-4-11-32(29)36)19-34(38)37(33)20-22-7-5-10-26-25(22)15-16-27-24-8-2-1-6-21(24)12-14-28(26)27/h1-18,30H,19-20H2
InChIKeyUZAJNCHVBQFJJL-UHFFFAOYSA-N
XLogP9.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.47
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

acetic acid;4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one
CID 174343613
6-chloro-4-(naphthalen-1-ylmethyl)-1,4-benzoxazin-3-one
CID 23411070
(1S)-1-(2,4-dichlorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673088
5-chloro-1-[(2-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 4522231
1-(2,5-dichlorophenyl)-3-naphthalen-1-yl-3H-indol-2-one
CID 153475776
1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one
CID 102583572
(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
2-methoxyethyl 4-(2-chlorophenyl)-1-[(2,3-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854155
1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 82156899
benzyl 4-(2-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854547
3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione
CID 46854841
3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118511993

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one (CID 174422951) is 6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one is O=C1CC(c2ccccc2Cl)c2cc(Cl)ccc2N1Cc1cccc2c1ccc1c3ccccc3ccc21.
What is the InChIKey of 6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is UZAJNCHVBQFJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23Cl2NO/c35-23-13-17-33-31(18-23)30(29-9-3-4-11-32(29)36)19-34(38)37(33)20-22-7-5-10-26-25(22)15-16-27-24-8-2-1-6-21(24)12-14-28(26)27/h1-18,30H,19-20H2.
What are the key properties of 6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one?
6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 532.47 g/mol, XLogP of 9.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-chlorophenyl)-1-(chrysen-1-ylmethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 174422951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).