4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol

C18H21N5O — CID 137418005

IUPAC4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol
SMILESNc1cc(NC2CCC(O)CC2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H21N5O/c19-18-10-17(21-12-2-4-13(24)5-3-12)14-6-1-11(9-16(14)22-18)15-7-8-20-23-15/h1,6-10,12-13,24H,2-5H2,(H,20,23)(H3,19,21,22)
InChIKeyHHPBCSRDLLDKLD-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.92
Rot. Bonds3

About 4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol

4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol (PubChem CID 137418005) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol
PubChem CID137418005
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol
SMILESNc1cc(NC2CCC(O)CC2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H21N5O/c19-18-10-17(21-12-2-4-13(24)5-3-12)14-6-1-11(9-16(14)22-18)15-7-8-20-23-15/h1,6-10,12-13,24H,2-5H2,(H,20,23)(H3,19,21,22)
InChIKeyHHPBCSRDLLDKLD-UHFFFAOYSA-N
XLogP2.92
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol (CID 137418005) is 4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol is Nc1cc(NC2CCC(O)CC2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is HHPBCSRDLLDKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c19-18-10-17(21-12-2-4-13(24)5-3-12)14-6-1-11(9-16(14)22-18)15-7-8-20-23-15/h1,6-10,12-13,24H,2-5H2,(H,20,23)(H3,19,21,22).
What are the key properties of 4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol?
4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 323.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 137418005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).