6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one

C13H12ClNO — CID 61381864

IUPAC6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
SMILESCc1c(Cl)ccc2c(=O)c3c([nH]c12)CCC3
InChIInChI=1S/C13H12ClNO/c1-7-10(14)6-5-9-12(7)15-11-4-2-3-8(11)13(9)16/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyCSAKVNJPRCMTJH-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.98
Rot. Bonds

About 6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one

6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one (PubChem CID 61381864) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one.

Molecular Properties

Compound Name6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
PubChem CID61381864
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
SMILESCc1c(Cl)ccc2c(=O)c3c([nH]c12)CCC3
InChIInChI=1S/C13H12ClNO/c1-7-10(14)6-5-9-12(7)15-11-4-2-3-8(11)13(9)16/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyCSAKVNJPRCMTJH-UHFFFAOYSA-N
XLogP2.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The IUPAC name of 6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one (CID 61381864) is 6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one.
What is the SMILES notation for 6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The canonical SMILES for 6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one is Cc1c(Cl)ccc2c(=O)c3c([nH]c12)CCC3.
What is the InChIKey of 6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The InChIKey is CSAKVNJPRCMTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-7-10(14)6-5-9-12(7)15-11-4-2-3-8(11)13(9)16/h5-6H,2-4H2,1H3,(H,15,16).
What are the key properties of 6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one has a molecular weight of 233.70 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one is sourced from PubChem (CID 61381864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).