2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one

C19H23NO — CID 19958906

IUPAC2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC(C)CC1=CC(c2ccccc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C19H23NO/c1-13(2)11-15-12-16(14-7-4-3-5-8-14)19-17(20-15)9-6-10-18(19)21/h3-5,7-8,12-13,16,20H,6,9-11H2,1-2H3
InChIKeyOITHYGLWSHFGQB-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.31
Rot. Bonds3

About 2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one

2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one (PubChem CID 19958906) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
PubChem CID19958906
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC(C)CC1=CC(c2ccccc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C19H23NO/c1-13(2)11-15-12-16(14-7-4-3-5-8-14)19-17(20-15)9-6-10-18(19)21/h3-5,7-8,12-13,16,20H,6,9-11H2,1-2H3
InChIKeyOITHYGLWSHFGQB-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The IUPAC name of 2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one (CID 19958906) is 2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one.
What is the SMILES notation for 2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The canonical SMILES for 2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one is CC(C)CC1=CC(c2ccccc2)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The InChIKey is OITHYGLWSHFGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-13(2)11-15-12-16(14-7-4-3-5-8-14)19-17(20-15)9-6-10-18(19)21/h3-5,7-8,12-13,16,20H,6,9-11H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one?
2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one has a molecular weight of 281.40 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one is sourced from PubChem (CID 19958906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).