9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

C12H14ClN3O — CID 82269925

IUPAC9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESCOCc1cc2nc3c(c(Cl)n2n1)CCCC3
InChIInChI=1S/C12H14ClN3O/c1-17-7-8-6-11-14-10-5-3-2-4-9(10)12(13)16(11)15-8/h6H,2-5,7H2,1H3
InChIKeyQVKRUQCRCJVYFO-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.41
Rot. Bonds2

About 9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (PubChem CID 82269925) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
PubChem CID82269925
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESCOCc1cc2nc3c(c(Cl)n2n1)CCCC3
InChIInChI=1S/C12H14ClN3O/c1-17-7-8-6-11-14-10-5-3-2-4-9(10)12(13)16(11)15-8/h6H,2-5,7H2,1H3
InChIKeyQVKRUQCRCJVYFO-UHFFFAOYSA-N
XLogP2.41
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The IUPAC name of 9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (CID 82269925) is 9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.
What is the SMILES notation for 9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The canonical SMILES for 9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is COCc1cc2nc3c(c(Cl)n2n1)CCCC3.
What is the InChIKey of 9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The InChIKey is QVKRUQCRCJVYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-17-7-8-6-11-14-10-5-3-2-4-9(10)12(13)16(11)15-8/h6H,2-5,7H2,1H3.
What are the key properties of 9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline has a molecular weight of 251.72 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-(methoxymethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is sourced from PubChem (CID 82269925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).