(10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

C25H25NO2 — CID 54265932

IUPAC(10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@]2(C)c3ccc(-c4ccc5cc(O)ccc5c4)cc3CCC12
InChIInChI=1S/C25H25NO2/c1-25-12-11-24(28)26(2)23(25)10-7-20-14-18(6-9-22(20)25)16-3-4-19-15-21(27)8-5-17(19)13-16/h3-6,8-9,13-15,23,27H,7,10-12H2,1-2H3/t23?,25-/m1/s1
InChIKeyRGTROBQXBHCNHR-XSWBTSGESA-N
MW371.48 g/mol
LogP5.04
Rot. Bonds1

About (10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one

(10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (PubChem CID 54265932) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
PubChem CID54265932
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@]2(C)c3ccc(-c4ccc5cc(O)ccc5c4)cc3CCC12
InChIInChI=1S/C25H25NO2/c1-25-12-11-24(28)26(2)23(25)10-7-20-14-18(6-9-22(20)25)16-3-4-19-15-21(27)8-5-17(19)13-16/h3-6,8-9,13-15,23,27H,7,10-12H2,1-2H3/t23?,25-/m1/s1
InChIKeyRGTROBQXBHCNHR-XSWBTSGESA-N
XLogP5.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (CID 54265932) is (10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is CN1C(=O)CC[C@]2(C)c3ccc(-c4ccc5cc(O)ccc5c4)cc3CCC12.
What is the InChIKey of (10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The InChIKey is RGTROBQXBHCNHR-XSWBTSGESA-N. The full InChI is InChI=1S/C25H25NO2/c1-25-12-11-24(28)26(2)23(25)10-7-20-14-18(6-9-22(20)25)16-3-4-19-15-21(27)8-5-17(19)13-16/h3-6,8-9,13-15,23,27H,7,10-12H2,1-2H3/t23?,25-/m1/s1.
What are the key properties of (10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
(10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one has a molecular weight of 371.48 g/mol, XLogP of 5.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-8-(6-hydroxynaphthalen-2-yl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 54265932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).