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

C20H22N2O — CID 54288381

IUPAC(4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@]2(C)c3ccc(-c4cccnc4)cc3CC[C@@H]12
InChIInChI=1S/C20H22N2O/c1-20-10-9-19(23)22(2)18(20)8-6-15-12-14(5-7-17(15)20)16-4-3-11-21-13-16/h3-5,7,11-13,18H,6,8-10H2,1-2H3/t18-,20-/m1/s1
InChIKeyRVTVRCQNYDNDCG-UYAOXDASSA-N
MW306.41 g/mol
LogP3.57
Rot. Bonds1

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

(4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (PubChem CID 54288381) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
PubChem CID54288381
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@]2(C)c3ccc(-c4cccnc4)cc3CC[C@@H]12
InChIInChI=1S/C20H22N2O/c1-20-10-9-19(23)22(2)18(20)8-6-15-12-14(5-7-17(15)20)16-4-3-11-21-13-16/h3-5,7,11-13,18H,6,8-10H2,1-2H3/t18-,20-/m1/s1
InChIKeyRVTVRCQNYDNDCG-UYAOXDASSA-N
XLogP3.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one (CID 54288381) is (4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is CN1C(=O)CC[C@]2(C)c3ccc(-c4cccnc4)cc3CC[C@@H]12.
What is the InChIKey of (4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
The InChIKey is RVTVRCQNYDNDCG-UYAOXDASSA-N. The full InChI is InChI=1S/C20H22N2O/c1-20-10-9-19(23)22(2)18(20)8-6-15-12-14(5-7-17(15)20)16-4-3-11-21-13-16/h3-5,7,11-13,18H,6,8-10H2,1-2H3/t18-,20-/m1/s1.
What are the key properties of (4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one?
(4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one has a molecular weight of 306.41 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bR)-4,10b-dimethyl-8-pyridin-3-yl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 54288381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).