(10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one

C22H22BrNO — CID 11825422

IUPAC(10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one
SMILESC[C@H](c1ccccc1)N1C(=O)CC[C@@]2(C)C1=CCc1cc(Br)ccc12
InChIInChI=1S/C22H22BrNO/c1-15(16-6-4-3-5-7-16)24-20-11-8-17-14-18(23)9-10-19(17)22(20,2)13-12-21(24)25/h3-7,9-11,14-15H,8,12-13H2,1-2H3/t15-,22-/m1/s1
InChIKeyVGIWMUBOWQHYLQ-IVZQSRNASA-N
MW396.33 g/mol
LogP5.53
Rot. Bonds2

About (10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one

(10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 11825422) has the molecular formula C22H22BrNO and a molecular weight of 396.33 g/mol. Its IUPAC name is (10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name(10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID11825422
Molecular FormulaC22H22BrNO
Molecular Weight396.33 g/mol
Exact Mass395.09
IUPAC Name(10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one
SMILESC[C@H](c1ccccc1)N1C(=O)CC[C@@]2(C)C1=CCc1cc(Br)ccc12
InChIInChI=1S/C22H22BrNO/c1-15(16-6-4-3-5-7-16)24-20-11-8-17-14-18(23)9-10-19(17)22(20,2)13-12-21(24)25/h3-7,9-11,14-15H,8,12-13H2,1-2H3/t15-,22-/m1/s1
InChIKeyVGIWMUBOWQHYLQ-IVZQSRNASA-N
XLogP5.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.33
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of (10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one (CID 11825422) is (10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for (10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for (10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one is C[C@H](c1ccccc1)N1C(=O)CC[C@@]2(C)C1=CCc1cc(Br)ccc12.
What is the InChIKey of (10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is VGIWMUBOWQHYLQ-IVZQSRNASA-N. The full InChI is InChI=1S/C22H22BrNO/c1-15(16-6-4-3-5-7-16)24-20-11-8-17-14-18(23)9-10-19(17)22(20,2)13-12-21(24)25/h3-7,9-11,14-15H,8,12-13H2,1-2H3/t15-,22-/m1/s1.
What are the key properties of (10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one?
(10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 396.33 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-8-bromo-10b-methyl-4-[(1R)-1-phenylethyl]-2,6-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 11825422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).