4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one

C21H18ClNO — CID 46906934

IUPAC4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESO=C1CCCC2=C1C(c1ccc(Cl)cc1)C=C(c1ccccc1)N2
InChIInChI=1S/C21H18ClNO/c22-16-11-9-14(10-12-16)17-13-19(15-5-2-1-3-6-15)23-18-7-4-8-20(24)21(17)18/h1-3,5-6,9-13,17,23H,4,7-8H2
InChIKeyBTWXEONYKQDQIT-UHFFFAOYSA-N
MW335.83 g/mol
LogP5.07
Rot. Bonds2

About 4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one

4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one (PubChem CID 46906934) has the molecular formula C21H18ClNO and a molecular weight of 335.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
PubChem CID46906934
Molecular FormulaC21H18ClNO
Molecular Weight335.83 g/mol
Exact Mass335.11
IUPAC Name4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESO=C1CCCC2=C1C(c1ccc(Cl)cc1)C=C(c1ccccc1)N2
InChIInChI=1S/C21H18ClNO/c22-16-11-9-14(10-12-16)17-13-19(15-5-2-1-3-6-15)23-18-7-4-8-20(24)21(17)18/h1-3,5-6,9-13,17,23H,4,7-8H2
InChIKeyBTWXEONYKQDQIT-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.83
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The IUPAC name of 4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one (CID 46906934) is 4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The canonical SMILES for 4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one is O=C1CCCC2=C1C(c1ccc(Cl)cc1)C=C(c1ccccc1)N2.
What is the InChIKey of 4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The InChIKey is BTWXEONYKQDQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO/c22-16-11-9-14(10-12-16)17-13-19(15-5-2-1-3-6-15)23-18-7-4-8-20(24)21(17)18/h1-3,5-6,9-13,17,23H,4,7-8H2.
What are the key properties of 4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one has a molecular weight of 335.83 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one is sourced from PubChem (CID 46906934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).