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

C18H20ClNO2 — CID 24777579

IUPAC7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride
SMILESCC1(C)CC(=O)c2ccc(OCc3ccccc3)nc2C1.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-18(2)10-15-14(16(20)11-18)8-9-17(19-15)21-12-13-6-4-3-5-7-13;/h3-9H,10-12H2,1-2H3;1H
InChIKeyOQCQYYLMRLVMLB-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.24
Rot. Bonds3

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

7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride (PubChem CID 24777579) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride.

Molecular Properties

Compound Name7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride
PubChem CID24777579
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride
SMILESCC1(C)CC(=O)c2ccc(OCc3ccccc3)nc2C1.Cl
InChIInChI=1S/C18H19NO2.ClH/c1-18(2)10-15-14(16(20)11-18)8-9-17(19-15)21-12-13-6-4-3-5-7-13;/h3-9H,10-12H2,1-2H3;1H
InChIKeyOQCQYYLMRLVMLB-UHFFFAOYSA-N
XLogP4.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride?
The IUPAC name of 7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride (CID 24777579) is 7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride.
What is the SMILES notation for 7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride?
The canonical SMILES for 7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride is CC1(C)CC(=O)c2ccc(OCc3ccccc3)nc2C1.Cl.
What is the InChIKey of 7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride?
The InChIKey is OQCQYYLMRLVMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2.ClH/c1-18(2)10-15-14(16(20)11-18)8-9-17(19-15)21-12-13-6-4-3-5-7-13;/h3-9H,10-12H2,1-2H3;1H.
What are the key properties of 7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride?
7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride has a molecular weight of 317.82 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-phenylmethoxy-6,8-dihydroquinolin-5-one;hydrochloride is sourced from PubChem (CID 24777579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).