1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine

C17H21N5O — CID 71140029

IUPAC1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine
SMILESCOc1ccc2nc(C3(N)CCCCC3N)c3[nH]ncc3c2c1
InChIInChI=1S/C17H21N5O/c1-23-10-5-6-13-11(8-10)12-9-20-22-15(12)16(21-13)17(19)7-3-2-4-14(17)18/h5-6,8-9,14H,2-4,7,18-19H2,1H3,(H,20,22)
InChIKeyHHWPELNPKHFJAT-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.17
Rot. Bonds2

About 1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine

1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine (PubChem CID 71140029) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine
PubChem CID71140029
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine
SMILESCOc1ccc2nc(C3(N)CCCCC3N)c3[nH]ncc3c2c1
InChIInChI=1S/C17H21N5O/c1-23-10-5-6-13-11(8-10)12-9-20-22-15(12)16(21-13)17(19)7-3-2-4-14(17)18/h5-6,8-9,14H,2-4,7,18-19H2,1H3,(H,20,22)
InChIKeyHHWPELNPKHFJAT-UHFFFAOYSA-N
XLogP2.17
TPSA102.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine 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 1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine?
The IUPAC name of 1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine (CID 71140029) is 1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine is COc1ccc2nc(C3(N)CCCCC3N)c3[nH]ncc3c2c1.
What is the InChIKey of 1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine?
The InChIKey is HHWPELNPKHFJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-23-10-5-6-13-11(8-10)12-9-20-22-15(12)16(21-13)17(19)7-3-2-4-14(17)18/h5-6,8-9,14H,2-4,7,18-19H2,1H3,(H,20,22).
What are the key properties of 1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine?
1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine has a molecular weight of 311.39 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 71140029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).