3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline

C18H18ClN3O — CID 66498557

IUPAC3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline
SMILESCOCc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)CCCC3
InChIInChI=1S/C18H18ClN3O/c1-23-11-15-17(12-6-8-14(19)9-7-12)18-20-10-13-4-2-3-5-16(13)22(18)21-15/h6-10H,2-5,11H2,1H3
InChIKeyNNJOMOKQBDGKMP-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.07
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline

3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline (PubChem CID 66498557) has the molecular formula C18H18ClN3O and a molecular weight of 327.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline
PubChem CID66498557
Molecular FormulaC18H18ClN3O
Molecular Weight327.81 g/mol
Exact Mass327.11
IUPAC Name3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline
SMILESCOCc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)CCCC3
InChIInChI=1S/C18H18ClN3O/c1-23-11-15-17(12-6-8-14(19)9-7-12)18-20-10-13-4-2-3-5-16(13)22(18)21-15/h6-10H,2-5,11H2,1H3
InChIKeyNNJOMOKQBDGKMP-UHFFFAOYSA-N
XLogP4.07
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline?
The IUPAC name of 3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline (CID 66498557) is 3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline?
The canonical SMILES for 3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline is COCc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)CCCC3.
What is the InChIKey of 3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline?
The InChIKey is NNJOMOKQBDGKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-23-11-15-17(12-6-8-14(19)9-7-12)18-20-10-13-4-2-3-5-16(13)22(18)21-15/h6-10H,2-5,11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline?
3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline has a molecular weight of 327.81 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(methoxymethyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline is sourced from PubChem (CID 66498557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).