[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol

C16H18ClFN2O — CID 133328011

IUPAC[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1Nc1ccc2c(Cl)ccnc2c1F
InChIInChI=1S/C16H18ClFN2O/c1-16(9-21)7-2-3-13(16)20-12-5-4-10-11(17)6-8-19-15(10)14(12)18/h4-6,8,13,20-21H,2-3,7,9H2,1H3
InChIKeyJYHQPMISVYDPDB-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.99
Rot. Bonds3

About [2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol

[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol (PubChem CID 133328011) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is [2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol
PubChem CID133328011
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol
SMILESCC1(CO)CCCC1Nc1ccc2c(Cl)ccnc2c1F
InChIInChI=1S/C16H18ClFN2O/c1-16(9-21)7-2-3-13(16)20-12-5-4-10-11(17)6-8-19-15(10)14(12)18/h4-6,8,13,20-21H,2-3,7,9H2,1H3
InChIKeyJYHQPMISVYDPDB-UHFFFAOYSA-N
XLogP3.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol?
The IUPAC name of [2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol (CID 133328011) is [2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol is CC1(CO)CCCC1Nc1ccc2c(Cl)ccnc2c1F.
What is the InChIKey of [2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol?
The InChIKey is JYHQPMISVYDPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-16(9-21)7-2-3-13(16)20-12-5-4-10-11(17)6-8-19-15(10)14(12)18/h4-6,8,13,20-21H,2-3,7,9H2,1H3.
What are the key properties of [2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol?
[2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol has a molecular weight of 308.78 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chloro-8-fluoroquinolin-7-yl)amino]-1-methylcyclopentyl]methanol is sourced from PubChem (CID 133328011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).