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

C21H24N2O — CID 54132714

IUPAC(10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@]2(C)c3ccc(-c4cccc(N)c4)cc3CCC12
InChIInChI=1S/C21H24N2O/c1-21-11-10-20(24)23(2)19(21)9-7-16-12-15(6-8-18(16)21)14-4-3-5-17(22)13-14/h3-6,8,12-13,19H,7,9-11,22H2,1-2H3/t19?,21-/m1/s1
InChIKeyQOINSTVRAPWGTE-VGAJERRHSA-N
MW320.44 g/mol
LogP3.76
Rot. Bonds1

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

(10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (PubChem CID 54132714) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
PubChem CID54132714
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@]2(C)c3ccc(-c4cccc(N)c4)cc3CCC12
InChIInChI=1S/C21H24N2O/c1-21-11-10-20(24)23(2)19(21)9-7-16-12-15(6-8-18(16)21)14-4-3-5-17(22)13-14/h3-6,8,12-13,19H,7,9-11,22H2,1-2H3/t19?,21-/m1/s1
InChIKeyQOINSTVRAPWGTE-VGAJERRHSA-N
XLogP3.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (CID 54132714) is (10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is CN1C(=O)CC[C@]2(C)c3ccc(-c4cccc(N)c4)cc3CCC12.
What is the InChIKey of (10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The InChIKey is QOINSTVRAPWGTE-VGAJERRHSA-N. The full InChI is InChI=1S/C21H24N2O/c1-21-11-10-20(24)23(2)19(21)9-7-16-12-15(6-8-18(16)21)14-4-3-5-17(22)13-14/h3-6,8,12-13,19H,7,9-11,22H2,1-2H3/t19?,21-/m1/s1.
What are the key properties of (10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
(10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one has a molecular weight of 320.44 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-8-(3-aminophenyl)-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 54132714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).