2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline

C15H10ClN5 — CID 175793823

IUPAC2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline
SMILESCn1ncc2c(-c3ccc4ccccc4n3)nc(Cl)nc21
InChIInChI=1S/C15H10ClN5/c1-21-14-10(8-17-21)13(19-15(16)20-14)12-7-6-9-4-2-3-5-11(9)18-12/h2-8H,1H3
InChIKeyDNWCOEIGFUCMDP-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.23
Rot. Bonds1

About 2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline

2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline (PubChem CID 175793823) has the molecular formula C15H10ClN5 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline.

Molecular Properties

Compound Name2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline
PubChem CID175793823
Molecular FormulaC15H10ClN5
Molecular Weight295.73 g/mol
Exact Mass295.06
IUPAC Name2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline
SMILESCn1ncc2c(-c3ccc4ccccc4n3)nc(Cl)nc21
InChIInChI=1S/C15H10ClN5/c1-21-14-10(8-17-21)13(19-15(16)20-14)12-7-6-9-4-2-3-5-11(9)18-12/h2-8H,1H3
InChIKeyDNWCOEIGFUCMDP-UHFFFAOYSA-N
XLogP3.23
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-methyl-4-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine
CID 155413736
2-(5-chloropyrimidin-4-yl)quinoline
CID 105371578
6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460053
2-(1,3,5-trimethylpyrazol-4-yl)quinoline
CID 123470704
6-(benzylsulfanylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221171
2,4-dimethyl-5-quinolin-2-yl-1,2,4-triazole-3-thione
CID 46238049
4,6-dichloro-1-methylpyrazolo[5,4-b]pyridine
CID 58083235
4-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221358
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
CID 116645207
2-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)quinoline
CID 156900627
4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 103288170
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline?
The IUPAC name of 2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline (CID 175793823) is 2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline.
What is the SMILES notation for 2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline?
The canonical SMILES for 2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline is Cn1ncc2c(-c3ccc4ccccc4n3)nc(Cl)nc21.
What is the InChIKey of 2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline?
The InChIKey is DNWCOEIGFUCMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5/c1-21-14-10(8-17-21)13(19-15(16)20-14)12-7-6-9-4-2-3-5-11(9)18-12/h2-8H,1H3.
What are the key properties of 2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline?
2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline has a molecular weight of 295.73 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)quinoline is sourced from PubChem (CID 175793823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).