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

C25H25NO — CID 54257253

IUPAC(10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@]2(C)c3ccc(-c4cccc5ccccc45)cc3CCC12
InChIInChI=1S/C25H25NO/c1-25-15-14-24(27)26(2)23(25)13-11-19-16-18(10-12-22(19)25)21-9-5-7-17-6-3-4-8-20(17)21/h3-10,12,16,23H,11,13-15H2,1-2H3/t23?,25-/m1/s1
InChIKeyRAYLRFRHDNXUGK-XSWBTSGESA-N
MW355.48 g/mol
LogP5.33
Rot. Bonds1

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

(10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (PubChem CID 54257253) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is (10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
PubChem CID54257253
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name(10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@]2(C)c3ccc(-c4cccc5ccccc45)cc3CCC12
InChIInChI=1S/C25H25NO/c1-25-15-14-24(27)26(2)23(25)13-11-19-16-18(10-12-22(19)25)21-9-5-7-17-6-3-4-8-20(17)21/h3-10,12,16,23H,11,13-15H2,1-2H3/t23?,25-/m1/s1
InChIKeyRAYLRFRHDNXUGK-XSWBTSGESA-N
XLogP5.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

(4aR,10bR)-8-anthracen-9-yl-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
CID 54014229
(10bR)-4,10b-dimethyl-8-naphthalen-2-ylsulfanyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
CID 54223890
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099
1-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalene
CID 14747501
5-naphthalen-1-yl-3H-2-benzofuran-1-one
CID 102047975
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
1-(2-methyl-1H-inden-5-yl)naphthalene
CID 54474031
(1R,8R,15S,22S)-1,8,15,22-tetramethyl-4,5,11,12,18-pentanaphthalen-1-ylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9(14),10,12,16(21),17,19-nonaene
CID 134850307
5,12-diethyl-2,9-dinaphthalen-1-ylquinolino[2,3-b]acridine-7,14-dione
CID 138622571
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194690

Frequently Asked Questions

What is the IUPAC name of (10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (CID 54257253) is (10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is CN1C(=O)CC[C@]2(C)c3ccc(-c4cccc5ccccc45)cc3CCC12.
What is the InChIKey of (10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The InChIKey is RAYLRFRHDNXUGK-XSWBTSGESA-N. The full InChI is InChI=1S/C25H25NO/c1-25-15-14-24(27)26(2)23(25)13-11-19-16-18(10-12-22(19)25)21-9-5-7-17-6-3-4-8-20(17)21/h3-10,12,16,23H,11,13-15H2,1-2H3/t23?,25-/m1/s1.
What are the key properties of (10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
(10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one has a molecular weight of 355.48 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-4,10b-dimethyl-8-naphthalen-1-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 54257253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).