3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

C10H12ClNO — CID 13283168

IUPAC3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1[nH]c2c(c(=O)c1Cl)CCCC2
InChIInChI=1S/C10H12ClNO/c1-6-9(11)10(13)7-4-2-3-5-8(7)12-6/h2-5H2,1H3,(H,12,13)
InChIKeyLENDSGGFOVQNAJ-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.22
Rot. Bonds

About 3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 13283168) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID13283168
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1[nH]c2c(c(=O)c1Cl)CCCC2
InChIInChI=1S/C10H12ClNO/c1-6-9(11)10(13)7-4-2-3-5-8(7)12-6/h2-5H2,1H3,(H,12,13)
InChIKeyLENDSGGFOVQNAJ-UHFFFAOYSA-N
XLogP2.22
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 13283168) is 3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is Cc1[nH]c2c(c(=O)c1Cl)CCCC2.
What is the InChIKey of 3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is LENDSGGFOVQNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-6-9(11)10(13)7-4-2-3-5-8(7)12-6/h2-5H2,1H3,(H,12,13).
What are the key properties of 3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 197.66 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 13283168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).