3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one

C21H27NO2 — CID 56693023

IUPAC3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one
SMILESCCCCc1c(O)c2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2
InChIInChI=1S/C21H27NO2/c1-4-5-11-17-19(23)16-12-13-21(2,3)14-18(16)22(20(17)24)15-9-7-6-8-10-15/h6-10,23H,4-5,11-14H2,1-3H3
InChIKeyBAWIOZXLWWGROM-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.40
Rot. Bonds4

About 3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one

3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one (PubChem CID 56693023) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one.

Molecular Properties

Compound Name3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one
PubChem CID56693023
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one
SMILESCCCCc1c(O)c2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2
InChIInChI=1S/C21H27NO2/c1-4-5-11-17-19(23)16-12-13-21(2,3)14-18(16)22(20(17)24)15-9-7-6-8-10-15/h6-10,23H,4-5,11-14H2,1-3H3
InChIKeyBAWIOZXLWWGROM-UHFFFAOYSA-N
XLogP4.40
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54682888
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CID 54682900
CID 54682900
CID 54683886
CID 54683886
CID 54687410
CID 54687410
CID 54690075
CID 54690075
CID 54708956
CID 54708956
CID 54708974
CID 54708974
CID 54708975
CID 54708975
CID 54694337
CID 54694337
CID 54684098
CID 54684098

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one?
The IUPAC name of 3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one (CID 56693023) is 3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one.
What is the SMILES notation for 3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one?
The canonical SMILES for 3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one is CCCCc1c(O)c2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2.
What is the InChIKey of 3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one?
The InChIKey is BAWIOZXLWWGROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-5-11-17-19(23)16-12-13-21(2,3)14-18(16)22(20(17)24)15-9-7-6-8-10-15/h6-10,23H,4-5,11-14H2,1-3H3.
What are the key properties of 3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one?
3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one has a molecular weight of 325.45 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydroxy-7,7-dimethyl-1-phenyl-6,8-dihydro-5H-quinolin-2-one is sourced from PubChem (CID 56693023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).