6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane

C13H18ClNO2 — CID 170632349

IUPAC6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane
SMILESC.CC.O=c1[nH]c2ccc(Cl)cc2cc1CO
InChIInChI=1S/C10H8ClNO2.C2H6.CH4/c11-8-1-2-9-6(4-8)3-7(5-13)10(14)12-9;1-2;/h1-4,13H,5H2,(H,12,14);1-2H3;1H4
InChIKeyQXQYPRAYNGLUMN-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.34
Rot. Bonds1

About 6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane

6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane (PubChem CID 170632349) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane.

Molecular Properties

Compound Name6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane
PubChem CID170632349
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane
SMILESC.CC.O=c1[nH]c2ccc(Cl)cc2cc1CO
InChIInChI=1S/C10H8ClNO2.C2H6.CH4/c11-8-1-2-9-6(4-8)3-7(5-13)10(14)12-9;1-2;/h1-4,13H,5H2,(H,12,14);1-2H3;1H4
InChIKeyQXQYPRAYNGLUMN-UHFFFAOYSA-N
XLogP3.34
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
3-(4-aminobutyl)-6-chloro-1H-quinolin-2-one
CID 84634074
6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
2-amino-3-(6-chloro-2-oxo-1H-quinolin-3-yl)propanamide
CID 170632452
6-chloro-3-(4-methylphenyl)-1H-quinolin-2-one
CID 166443744
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702
6-chloro-3-(pyrrolidin-3-ylmethyl)-1H-quinolin-2-one
CID 84639003
7-chloro-1H-1-benzazepine-2,3-dione
CID 175535204
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
5-chloro-2-methyl-1H-indole;ethane
CID 143548586
3-[(4-chloroanilino)methyl]-6-methyl-1H-quinolin-2-one
CID 25318659
4-[[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]methyl]benzonitrile
CID 155527494

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane?
The IUPAC name of 6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane (CID 170632349) is 6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane.
What is the SMILES notation for 6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane?
The canonical SMILES for 6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane is C.CC.O=c1[nH]c2ccc(Cl)cc2cc1CO.
What is the InChIKey of 6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane?
The InChIKey is QXQYPRAYNGLUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2.C2H6.CH4/c11-8-1-2-9-6(4-8)3-7(5-13)10(14)12-9;1-2;/h1-4,13H,5H2,(H,12,14);1-2H3;1H4.
What are the key properties of 6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane?
6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane has a molecular weight of 255.75 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(hydroxymethyl)-1H-quinolin-2-one;ethane;methane is sourced from PubChem (CID 170632349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).