7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one

C23H18ClNO — CID 42597279

IUPAC7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one
SMILESO=C1CCCC2=C1C(c1ccc(Cl)cc1)c1ccc3ccccc3c1N2
InChIInChI=1S/C23H18ClNO/c24-16-11-8-15(9-12-16)21-18-13-10-14-4-1-2-5-17(14)23(18)25-19-6-3-7-20(26)22(19)21/h1-2,4-5,8-13,21,25H,3,6-7H2
InChIKeyPUDKGVUENQKHBT-UHFFFAOYSA-N
MW359.86 g/mol
LogP6.06
Rot. Bonds1

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

7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one (PubChem CID 42597279) has the molecular formula C23H18ClNO and a molecular weight of 359.86 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one
PubChem CID42597279
Molecular FormulaC23H18ClNO
Molecular Weight359.86 g/mol
Exact Mass359.11
IUPAC Name7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one
SMILESO=C1CCCC2=C1C(c1ccc(Cl)cc1)c1ccc3ccccc3c1N2
InChIInChI=1S/C23H18ClNO/c24-16-11-8-15(9-12-16)21-18-13-10-14-4-1-2-5-17(14)23(18)25-19-6-3-7-20(26)22(19)21/h1-2,4-5,8-13,21,25H,3,6-7H2
InChIKeyPUDKGVUENQKHBT-UHFFFAOYSA-N
XLogP6.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one?
The IUPAC name of 7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one (CID 42597279) is 7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one.
What is the SMILES notation for 7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one?
The canonical SMILES for 7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one is O=C1CCCC2=C1C(c1ccc(Cl)cc1)c1ccc3ccccc3c1N2.
What is the InChIKey of 7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one?
The InChIKey is PUDKGVUENQKHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO/c24-16-11-8-15(9-12-16)21-18-13-10-14-4-1-2-5-17(14)23(18)25-19-6-3-7-20(26)22(19)21/h1-2,4-5,8-13,21,25H,3,6-7H2.
What are the key properties of 7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one?
7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one has a molecular weight of 359.86 g/mol, XLogP of 6.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-9,10,11,12-tetrahydro-7H-naphtho[1,2-b]quinolin-8-one is sourced from PubChem (CID 42597279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).