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

C14H16ClN3O — CID 82269919

IUPAC9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESClc1c2c(nc3cc(C4CCCO4)nn13)CCCC2
InChIInChI=1S/C14H16ClN3O/c15-14-9-4-1-2-5-10(9)16-13-8-11(17-18(13)14)12-6-3-7-19-12/h8,12H,1-7H2
InChIKeyTXAYRCSPXZAEQM-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.11
Rot. Bonds1

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

9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (PubChem CID 82269919) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
PubChem CID82269919
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESClc1c2c(nc3cc(C4CCCO4)nn13)CCCC2
InChIInChI=1S/C14H16ClN3O/c15-14-9-4-1-2-5-10(9)16-13-8-11(17-18(13)14)12-6-3-7-19-12/h8,12H,1-7H2
InChIKeyTXAYRCSPXZAEQM-UHFFFAOYSA-N
XLogP3.11
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The IUPAC name of 9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (CID 82269919) is 9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.
What is the SMILES notation for 9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The canonical SMILES for 9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is Clc1c2c(nc3cc(C4CCCO4)nn13)CCCC2.
What is the InChIKey of 9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The InChIKey is TXAYRCSPXZAEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-14-9-4-1-2-5-10(9)16-13-8-11(17-18(13)14)12-6-3-7-19-12/h8,12H,1-7H2.
What are the key properties of 9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline has a molecular weight of 277.75 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-(oxolan-2-yl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is sourced from PubChem (CID 82269919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).