7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one

C13H12FNO — CID 61381863

IUPAC7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
SMILESCc1cc(F)cc2c(=O)c3c([nH]c12)CCC3
InChIInChI=1S/C13H12FNO/c1-7-5-8(14)6-10-12(7)15-11-4-2-3-9(11)13(10)16/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyDMJFRRUZNJXJDM-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.46
Rot. Bonds

About 7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one

7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one (PubChem CID 61381863) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one.

Molecular Properties

Compound Name7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
PubChem CID61381863
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
SMILESCc1cc(F)cc2c(=O)c3c([nH]c12)CCC3
InChIInChI=1S/C13H12FNO/c1-7-5-8(14)6-10-12(7)15-11-4-2-3-9(11)13(10)16/h5-6H,2-4H2,1H3,(H,15,16)
InChIKeyDMJFRRUZNJXJDM-UHFFFAOYSA-N
XLogP2.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The IUPAC name of 7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one (CID 61381863) is 7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one.
What is the SMILES notation for 7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The canonical SMILES for 7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one is Cc1cc(F)cc2c(=O)c3c([nH]c12)CCC3.
What is the InChIKey of 7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
The InChIKey is DMJFRRUZNJXJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-7-5-8(14)6-10-12(7)15-11-4-2-3-9(11)13(10)16/h5-6H,2-4H2,1H3,(H,15,16).
What are the key properties of 7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one?
7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one has a molecular weight of 217.24 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one is sourced from PubChem (CID 61381863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).