7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one

C25H22ClNO — CID 2753959

IUPAC7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)C2c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClNO/c1-25(2)13-20-23(21(28)14-25)22(16-7-10-17(26)11-8-16)19-12-9-15-5-3-4-6-18(15)24(19)27-20/h3-12,22,27H,13-14H2,1-2H3
InChIKeyLPCQXRIEZWGTFA-UHFFFAOYSA-N
MW387.91 g/mol
LogP6.69
Rot. Bonds1

About 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one

7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one (PubChem CID 2753959) has the molecular formula C25H22ClNO and a molecular weight of 387.91 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
PubChem CID2753959
Molecular FormulaC25H22ClNO
Molecular Weight387.91 g/mol
Exact Mass387.14
IUPAC Name7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)C2c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClNO/c1-25(2)13-20-23(21(28)14-25)22(16-7-10-17(26)11-8-16)19-12-9-15-5-3-4-6-18(15)24(19)27-20/h3-12,22,27H,13-14H2,1-2H3
InChIKeyLPCQXRIEZWGTFA-UHFFFAOYSA-N
XLogP6.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
The IUPAC name of 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one (CID 2753959) is 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one.
What is the SMILES notation for 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
The canonical SMILES for 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one is CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)C2c1ccc(Cl)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
The InChIKey is LPCQXRIEZWGTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO/c1-25(2)13-20-23(21(28)14-25)22(16-7-10-17(26)11-8-16)19-12-9-15-5-3-4-6-18(15)24(19)27-20/h3-12,22,27H,13-14H2,1-2H3.
What are the key properties of 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one has a molecular weight of 387.91 g/mol, XLogP of 6.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one is sourced from PubChem (CID 2753959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).