(4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone

C20H17Cl2NO — CID 22165465

IUPAC(4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC2=C1CCc1cc(Cl)ccc12
InChIInChI=1S/C20H17Cl2NO/c21-15-6-3-13(4-7-15)20(24)23-11-1-2-18-17-9-8-16(22)12-14(17)5-10-19(18)23/h3-4,6-9,12H,1-2,5,10-11H2
InChIKeyMMZDDGUXEUYHOS-UHFFFAOYSA-N
MW358.27 g/mol
LogP5.59
Rot. Bonds1

About (4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone

(4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone (PubChem CID 22165465) has the molecular formula C20H17Cl2NO and a molecular weight of 358.27 g/mol. Its IUPAC name is (4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone
PubChem CID22165465
Molecular FormulaC20H17Cl2NO
Molecular Weight358.27 g/mol
Exact Mass357.07
IUPAC Name(4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC2=C1CCc1cc(Cl)ccc12
InChIInChI=1S/C20H17Cl2NO/c21-15-6-3-13(4-7-15)20(24)23-11-1-2-18-17-9-8-16(22)12-14(17)5-10-19(18)23/h3-4,6-9,12H,1-2,5,10-11H2
InChIKeyMMZDDGUXEUYHOS-UHFFFAOYSA-N
XLogP5.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone (CID 22165465) is (4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCCC2=C1CCc1cc(Cl)ccc12.
What is the InChIKey of (4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone?
The InChIKey is MMZDDGUXEUYHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO/c21-15-6-3-13(4-7-15)20(24)23-11-1-2-18-17-9-8-16(22)12-14(17)5-10-19(18)23/h3-4,6-9,12H,1-2,5,10-11H2.
What are the key properties of (4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone?
(4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone has a molecular weight of 358.27 g/mol, XLogP of 5.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(8-chloro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)methanone is sourced from PubChem (CID 22165465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).