7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride

C19H20ClNO — CID 69038380

IUPAC7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride
SMILESCC1(C)CC(=O)c2ccc(/C=C/c3ccccc3)nc2C1.Cl
InChIInChI=1S/C19H19NO.ClH/c1-19(2)12-17-16(18(21)13-19)11-10-15(20-17)9-8-14-6-4-3-5-7-14;/h3-11H,12-13H2,1-2H3;1H/b9-8+;
InChIKeyJUEUHCKVCARLRL-HRNDJLQDSA-N
MW313.83 g/mol
LogP4.83
Rot. Bonds2

About 7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride

7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride (PubChem CID 69038380) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride.

Molecular Properties

Compound Name7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride
PubChem CID69038380
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride
SMILESCC1(C)CC(=O)c2ccc(/C=C/c3ccccc3)nc2C1.Cl
InChIInChI=1S/C19H19NO.ClH/c1-19(2)12-17-16(18(21)13-19)11-10-15(20-17)9-8-14-6-4-3-5-7-14;/h3-11H,12-13H2,1-2H3;1H/b9-8+;
InChIKeyJUEUHCKVCARLRL-HRNDJLQDSA-N
XLogP4.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride?
The IUPAC name of 7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride (CID 69038380) is 7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride.
What is the SMILES notation for 7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride?
The canonical SMILES for 7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride is CC1(C)CC(=O)c2ccc(/C=C/c3ccccc3)nc2C1.Cl.
What is the InChIKey of 7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride?
The InChIKey is JUEUHCKVCARLRL-HRNDJLQDSA-N. The full InChI is InChI=1S/C19H19NO.ClH/c1-19(2)12-17-16(18(21)13-19)11-10-15(20-17)9-8-14-6-4-3-5-7-14;/h3-11H,12-13H2,1-2H3;1H/b9-8+;.
What are the key properties of 7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride?
7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[(E)-2-phenylethenyl]-6,8-dihydroquinolin-5-one;hydrochloride is sourced from PubChem (CID 69038380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).