9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

C17H14Cl3N3 — CID 82274820

IUPAC9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESCc1nn2c(Cl)c3c(nc2c1-c1ccc(Cl)c(Cl)c1)CCCC3
InChIInChI=1S/C17H14Cl3N3/c1-9-15(10-6-7-12(18)13(19)8-10)17-21-14-5-3-2-4-11(14)16(20)23(17)22-9/h6-8H,2-5H2,1H3
InChIKeyPWIXZXCYCGHEOX-UHFFFAOYSA-N
MW366.68 g/mol
LogP5.54
Rot. Bonds1

About 9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (PubChem CID 82274820) has the molecular formula C17H14Cl3N3 and a molecular weight of 366.68 g/mol. Its IUPAC name is 9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
PubChem CID82274820
Molecular FormulaC17H14Cl3N3
Molecular Weight366.68 g/mol
Exact Mass365.03
IUPAC Name9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESCc1nn2c(Cl)c3c(nc2c1-c1ccc(Cl)c(Cl)c1)CCCC3
InChIInChI=1S/C17H14Cl3N3/c1-9-15(10-6-7-12(18)13(19)8-10)17-21-14-5-3-2-4-11(14)16(20)23(17)22-9/h6-8H,2-5H2,1H3
InChIKeyPWIXZXCYCGHEOX-UHFFFAOYSA-N
XLogP5.54
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-chloro-2-methyl-3-(4-nitrophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 82274827
2-chloro-11-methyl-10-(4-nitrophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82274875
2-chloro-10-(2-fluorophenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82274863
10-(4-chlorophenyl)-11-methyl-2-(trifluoromethyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 1319941
2-chloro-10-ethyl-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82274855
4-chloro-2-(3,4-dichlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405249
2-chloro-11-(4-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82269902
2-methyl-3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
CID 178068101
4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine
CID 665998
5,7-dichloro-3-(4-chlorophenyl)-2,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274661
10-(4-methoxy-2-methylphenyl)-2-(4-methoxyphenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene;hydrochloride
CID 22178152
3-[[11-methyl-10-(4-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]amino]propan-1-ol
CID 16668314

Frequently Asked Questions

What is the IUPAC name of 9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The IUPAC name of 9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (CID 82274820) is 9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.
What is the SMILES notation for 9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The canonical SMILES for 9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is Cc1nn2c(Cl)c3c(nc2c1-c1ccc(Cl)c(Cl)c1)CCCC3.
What is the InChIKey of 9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The InChIKey is PWIXZXCYCGHEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3N3/c1-9-15(10-6-7-12(18)13(19)8-10)17-21-14-5-3-2-4-11(14)16(20)23(17)22-9/h6-8H,2-5H2,1H3.
What are the key properties of 9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline has a molecular weight of 366.68 g/mol, XLogP of 5.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-3-(3,4-dichlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is sourced from PubChem (CID 82274820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).