8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline

C10H8ClN3 — CID 90191878

IUPAC8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline
SMILESClc1ccc2c(n1)-c1[nH]ncc1CC2
InChIInChI=1S/C10H8ClN3/c11-8-4-3-6-1-2-7-5-12-14-10(7)9(6)13-8/h3-5H,1-2H2,(H,12,14)
InChIKeyQHSHQJLKUJMISX-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.22
Rot. Bonds

About 8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline

8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline (PubChem CID 90191878) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is 8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline.

Molecular Properties

Compound Name8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline
PubChem CID90191878
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC Name8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline
SMILESClc1ccc2c(n1)-c1[nH]ncc1CC2
InChIInChI=1S/C10H8ClN3/c11-8-4-3-6-1-2-7-5-12-14-10(7)9(6)13-8/h3-5H,1-2H2,(H,12,14)
InChIKeyQHSHQJLKUJMISX-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline
CID 57459920
4,5-dihydro-1H-thieno[2,3-g]indazole
CID 13452859
8-chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135453861
7-bromo-4,5-dihydro-1H-benzo[g]indazole
CID 91620026
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 15012906
4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid
CID 139432787
7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole
CID 12686517
2-chloro-N-(2,6-diethylphenyl)-6,7-dihydro-5H-quinolin-8-imine
CID 102417044
1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carboxamide
CID 135526980
7-chloro-1-propan-2-yl-3,4-dihydro-1,8-naphthyridin-2-one
CID 89022817
4-nitro-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2(7),3,5,10,12,15-heptaene
CID 59490567
7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
CID 145087238

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline?
The IUPAC name of 8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline (CID 90191878) is 8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline.
What is the SMILES notation for 8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline?
The canonical SMILES for 8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline is Clc1ccc2c(n1)-c1[nH]ncc1CC2.
What is the InChIKey of 8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline?
The InChIKey is QHSHQJLKUJMISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c11-8-4-3-6-1-2-7-5-12-14-10(7)9(6)13-8/h3-5H,1-2H2,(H,12,14).
What are the key properties of 8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline?
8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline has a molecular weight of 205.65 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline is sourced from PubChem (CID 90191878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).