7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one

C16H16ClN3O2 — CID 172525187

IUPAC7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one
SMILESCn1cc2c(n1)c(=O)n(C1CCCC1O)c1cc(Cl)ccc21
InChIInChI=1S/C16H16ClN3O2/c1-19-8-11-10-6-5-9(17)7-13(10)20(16(22)15(11)18-19)12-3-2-4-14(12)21/h5-8,12,14,21H,2-4H2,1H3
InChIKeyMCMFCDCVZUWDJS-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.63
Rot. Bonds1

About 7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one

7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one (PubChem CID 172525187) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one
PubChem CID172525187
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one
SMILESCn1cc2c(n1)c(=O)n(C1CCCC1O)c1cc(Cl)ccc21
InChIInChI=1S/C16H16ClN3O2/c1-19-8-11-10-6-5-9(17)7-13(10)20(16(22)15(11)18-19)12-3-2-4-14(12)21/h5-8,12,14,21H,2-4H2,1H3
InChIKeyMCMFCDCVZUWDJS-UHFFFAOYSA-N
XLogP2.63
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one (CID 172525187) is 7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one is Cn1cc2c(n1)c(=O)n(C1CCCC1O)c1cc(Cl)ccc21.
What is the InChIKey of 7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one?
The InChIKey is MCMFCDCVZUWDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-19-8-11-10-6-5-9(17)7-13(10)20(16(22)15(11)18-19)12-3-2-4-14(12)21/h5-8,12,14,21H,2-4H2,1H3.
What are the key properties of 7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one?
7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one has a molecular weight of 317.78 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 172525187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).