(10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one

C15H16ClNO — CID 18654192

IUPAC(10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12
InChIInChI=1S/C15H16ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-6,9H,3,7-8H2,1-2H3/t15-/m1/s1
InChIKeyUZVKWKIMAVUXSA-OAHLLOKOSA-N
MW261.75 g/mol
LogP3.29
Rot. Bonds

About (10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one

(10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 18654192) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID18654192
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one
SMILESCN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12
InChIInChI=1S/C15H16ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-6,9H,3,7-8H2,1-2H3/t15-/m1/s1
InChIKeyUZVKWKIMAVUXSA-OAHLLOKOSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one (CID 18654192) is (10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one is CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12.
What is the InChIKey of (10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is UZVKWKIMAVUXSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-15-8-7-14(18)17(2)13(15)6-3-10-9-11(16)4-5-12(10)15/h4-6,9H,3,7-8H2,1-2H3/t15-/m1/s1.
What are the key properties of (10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one?
(10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 261.75 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-8-chloro-4,10b-dimethyl-2,6-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 18654192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).