(3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C24H23N — CID 124677727

IUPAC(3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCc1cc(C)c2c(c1)N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21
InChIInChI=1S/C24H23N/c1-15-13-16(2)23-19-10-6-12-21(19)24(25-22(23)14-15)20-11-5-8-17-7-3-4-9-18(17)20/h3-11,13-14,19,21,24-25H,12H2,1-2H3/t19-,21+,24+/m1/s1
InChIKeyAVYKCLXYUZMRCC-IZIIKQMZSA-N
MW325.46 g/mol
LogP6.28
Rot. Bonds1

About (3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

(3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 124677727) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is (3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name(3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID124677727
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name(3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCc1cc(C)c2c(c1)N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21
InChIInChI=1S/C24H23N/c1-15-13-16(2)23-19-10-6-12-21(19)24(25-22(23)14-15)20-11-5-8-17-7-3-4-9-18(17)20/h3-11,13-14,19,21,24-25H,12H2,1-2H3/t19-,21+,24+/m1/s1
InChIKeyAVYKCLXYUZMRCC-IZIIKQMZSA-N
XLogP6.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline with MolForge

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Launch Full Analysis

Related Compounds

(3aS,4R,9bR)-4-anthracen-9-yl-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 124678095
(3aR,4R,9bS)-4-(2-chlorophenyl)-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 1278318
6,8-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17239190
(3aS,4R,9bR)-8-methyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 26095596
7,9-dimethyl-4-(2-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17241540
2-(7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-6-methoxyphenol
CID 17238384
4-(3-chlorophenyl)-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17238547
(3aR,4R,9bR)-8-chloro-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 7250520
(3aR,4S,9bR)-8-chloro-6-methyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 126171414
(3aS,9bR)-8,9-dimethyl-4-naphthalen-1-yl-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17387443
7,9-dimethyl-4-(3-methylthiophen-2-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17237387
7,9-dimethyl-4-(4-methylsulfanylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17244357

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of (3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 124677727) is (3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for (3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for (3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is Cc1cc(C)c2c(c1)N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21.
What is the InChIKey of (3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is AVYKCLXYUZMRCC-IZIIKQMZSA-N. The full InChI is InChI=1S/C24H23N/c1-15-13-16(2)23-19-10-6-12-21(19)24(25-22(23)14-15)20-11-5-8-17-7-3-4-9-18(17)20/h3-11,13-14,19,21,24-25H,12H2,1-2H3/t19-,21+,24+/m1/s1.
What are the key properties of (3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
(3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 325.46 g/mol, XLogP of 6.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,9bR)-7,9-dimethyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 124677727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).