2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride

C18H20ClNO — CID 69040452

IUPAC2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride
SMILESCC1(C)CC(=O)c2ccc(Cc3ccccc3)nc2C1.Cl
InChIInChI=1S/C18H19NO.ClH/c1-18(2)11-16-15(17(20)12-18)9-8-14(19-16)10-13-6-4-3-5-7-13;/h3-9H,10-12H2,1-2H3;1H
InChIKeyHKXLVHMCQUNBTO-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.25
Rot. Bonds2

About 2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride

2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride (PubChem CID 69040452) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride.

Molecular Properties

Compound Name2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride
PubChem CID69040452
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride
SMILESCC1(C)CC(=O)c2ccc(Cc3ccccc3)nc2C1.Cl
InChIInChI=1S/C18H19NO.ClH/c1-18(2)11-16-15(17(20)12-18)9-8-14(19-16)10-13-6-4-3-5-7-13;/h3-9H,10-12H2,1-2H3;1H
InChIKeyHKXLVHMCQUNBTO-UHFFFAOYSA-N
XLogP4.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride
CID 24777579
7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride
CID 69038380
2-[(3-chlorophenyl)methyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62007871
7,7-dimethyl-2-(phenylsulfanylmethyl)-6,8-dihydroquinazolin-5-one
CID 65143399
3,3-dimethyl-2,4-dihydrophenazin-1-one
CID 12676417
2-(4-hydroxy-2-oxochromen-3-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 136897718
2-(2-ethylphenyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 62391065
2-(5-chlorothiophen-2-yl)-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 52918118
7,7-dimethyl-2-(4-methyl-1,3-oxazol-2-yl)-6,8-dihydroquinolin-5-one
CID 71002635
2-benzyl-6-(2-iodoethyl)-7,8-dihydro-6H-quinolin-5-one
CID 89244384
2-(1-adamantylamino)-7,7-dimethyl-6,8-dihydroquinolin-5-one
CID 141121622
1-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3-phenylurea
CID 972826

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride?
The IUPAC name of 2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride (CID 69040452) is 2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride.
What is the SMILES notation for 2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride?
The canonical SMILES for 2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride is CC1(C)CC(=O)c2ccc(Cc3ccccc3)nc2C1.Cl.
What is the InChIKey of 2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride?
The InChIKey is HKXLVHMCQUNBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.ClH/c1-18(2)11-16-15(17(20)12-18)9-8-14(19-16)10-13-6-4-3-5-7-13;/h3-9H,10-12H2,1-2H3;1H.
What are the key properties of 2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride?
2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7,7-dimethyl-6,8-dihydroquinolin-5-one;hydrochloride is sourced from PubChem (CID 69040452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).