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

C25H23NO2 — CID 42597035

IUPAC7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)C2c1ccccc1O
InChIInChI=1S/C25H23NO2/c1-25(2)13-19-23(21(28)14-25)22(17-9-5-6-10-20(17)27)18-12-11-15-7-3-4-8-16(15)24(18)26-19/h3-12,22,26-27H,13-14H2,1-2H3
InChIKeyYTIBYEHSAXMVNX-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.75
Rot. Bonds1

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

7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one (PubChem CID 42597035) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one.

Molecular Properties

Compound Name7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
PubChem CID42597035
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)C2c1ccccc1O
InChIInChI=1S/C25H23NO2/c1-25(2)13-19-23(21(28)14-25)22(17-9-5-6-10-20(17)27)18-12-11-15-7-3-4-8-16(15)24(18)26-19/h3-12,22,26-27H,13-14H2,1-2H3
InChIKeyYTIBYEHSAXMVNX-UHFFFAOYSA-N
XLogP5.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one with MolForge

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Related Compounds

(7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 40523336
7-(4-aminophenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 14171492
7-(4-methoxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 4261678
(7R)-7-(6-bromo-1,3-benzodioxol-5-yl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 7231058
(12R)-9,9-dimethyl-12-naphthalen-1-yl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 7231056
7,7-dimethyl-10-naphthalen-1-yl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 2933264
(4R)-7,7-dimethyl-4-naphthalen-1-yl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7413488
12-(2-hydroxyphenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthen-11-one
CID 57342720
12-[4-(hydroxymethyl)phenyl]-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 177269525
9,9-dimethyl-12-(4-methylphenyl)-7,8,10,12-tetrahydrobenzo[a]acridin-11-one;ethane
CID 169270874
9,9-dimethyl-12-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 2945972
(12S)-12-(5-bromothiophen-2-yl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 40871248

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
The IUPAC name of 7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one (CID 42597035) is 7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one.
What is the SMILES notation for 7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
The canonical SMILES for 7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one is CC1(C)CC(=O)C2=C(C1)Nc1c(ccc3ccccc13)C2c1ccccc1O.
What is the InChIKey of 7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
The InChIKey is YTIBYEHSAXMVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-25(2)13-19-23(21(28)14-25)22(17-9-5-6-10-20(17)27)18-12-11-15-7-3-4-8-16(15)24(18)26-19/h3-12,22,26-27H,13-14H2,1-2H3.
What are the key properties of 7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one?
7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one has a molecular weight of 369.46 g/mol, XLogP of 5.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one is sourced from PubChem (CID 42597035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).