7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one

C17H26ClNO2Si — CID 71021466

IUPAC7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one
SMILESCC(C)(CCCN1C(=O)CCc2ccc(Cl)cc21)[Si](C)(C)O
InChIInChI=1S/C17H26ClNO2Si/c1-17(2,22(3,4)21)10-5-11-19-15-12-14(18)8-6-13(15)7-9-16(19)20/h6,8,12,21H,5,7,9-11H2,1-4H3
InChIKeySISMBRPDYKCQMK-UHFFFAOYSA-N
MW339.94 g/mol
LogP4.38
Rot. Bonds5

About 7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one

7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one (PubChem CID 71021466) has the molecular formula C17H26ClNO2Si and a molecular weight of 339.94 g/mol. Its IUPAC name is 7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one
PubChem CID71021466
Molecular FormulaC17H26ClNO2Si
Molecular Weight339.94 g/mol
Exact Mass339.14
IUPAC Name7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one
SMILESCC(C)(CCCN1C(=O)CCc2ccc(Cl)cc21)[Si](C)(C)O
InChIInChI=1S/C17H26ClNO2Si/c1-17(2,22(3,4)21)10-5-11-19-15-12-14(18)8-6-13(15)7-9-16(19)20/h6,8,12,21H,5,7,9-11H2,1-4H3
InChIKeySISMBRPDYKCQMK-UHFFFAOYSA-N
XLogP4.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.94
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one (CID 71021466) is 7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one is CC(C)(CCCN1C(=O)CCc2ccc(Cl)cc21)[Si](C)(C)O.
What is the InChIKey of 7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one?
The InChIKey is SISMBRPDYKCQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2Si/c1-17(2,22(3,4)21)10-5-11-19-15-12-14(18)8-6-13(15)7-9-16(19)20/h6,8,12,21H,5,7,9-11H2,1-4H3.
What are the key properties of 7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one?
7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one has a molecular weight of 339.94 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[4-[hydroxy(dimethyl)silyl]-4-methylpentyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 71021466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).