1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one

C12H14ClNOSi — CID 10729461

IUPAC1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one
SMILESC[Si](C)(Cl)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C12H14ClNOSi/c1-16(2,13)9-14-11-6-4-3-5-10(11)7-8-12(14)15/h3-8H,9H2,1-2H3
InChIKeySBKFCRSKXYIXNY-UHFFFAOYSA-N
MW251.79 g/mol
LogP2.98
Rot. Bonds2

About 1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one

1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one (PubChem CID 10729461) has the molecular formula C12H14ClNOSi and a molecular weight of 251.79 g/mol. Its IUPAC name is 1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one.

Molecular Properties

Compound Name1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one
PubChem CID10729461
Molecular FormulaC12H14ClNOSi
Molecular Weight251.79 g/mol
Exact Mass251.05
IUPAC Name1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one
SMILESC[Si](C)(Cl)Cn1c(=O)ccc2ccccc21
InChIInChI=1S/C12H14ClNOSi/c1-16(2,13)9-14-11-6-4-3-5-10(11)7-8-12(14)15/h3-8H,9H2,1-2H3
InChIKeySBKFCRSKXYIXNY-UHFFFAOYSA-N
XLogP2.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.79
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylquinolin-2-one;hydrochloride
CID 141095108
1-[(dimethylamino)methyl]quinolin-2-one
CID 143777821
1-[(2S)-3-iodo-2-methylpropyl]quinolin-2-one
CID 68910508
1-[(4-chlorophenyl)methyl]quinolin-2-one
CID 58966930
1-(3-methylbut-2-enyl)quinolin-2-one
CID 57006693
1-[2-(dimethylamino)ethyl]quinolin-2-one
CID 45117450
1-(3-methylbut-3-enyl)quinolin-2-one
CID 140970650
1-(1H-imidazol-5-ylmethyl)quinolin-2-one
CID 22226593
2-[2-[(2-oxoquinolin-1-yl)methyl]phenyl]acetic acid
CID 22077317
1-[2-(aminomethyl)prop-2-enyl]quinolin-2-one
CID 103072482
1-(ethylamino)quinolin-2-one
CID 68767328
1-[2-(bromomethyl)-2-propylpentyl]quinolin-2-one
CID 65006227

Frequently Asked Questions

What is the IUPAC name of 1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one?
The IUPAC name of 1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one (CID 10729461) is 1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one.
What is the SMILES notation for 1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one?
The canonical SMILES for 1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one is C[Si](C)(Cl)Cn1c(=O)ccc2ccccc21.
What is the InChIKey of 1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one?
The InChIKey is SBKFCRSKXYIXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNOSi/c1-16(2,13)9-14-11-6-4-3-5-10(11)7-8-12(14)15/h3-8H,9H2,1-2H3.
What are the key properties of 1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one?
1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one has a molecular weight of 251.79 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[chloro(dimethyl)silyl]methyl]quinolin-2-one is sourced from PubChem (CID 10729461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).