3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol

C18H21N5O — CID 137417576

IUPAC3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol
SMILESNc1cc(NC2CCCC(O)C2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H21N5O/c19-18-10-17(21-12-2-1-3-13(24)9-12)14-5-4-11(8-16(14)22-18)15-6-7-20-23-15/h4-8,10,12-13,24H,1-3,9H2,(H,20,23)(H3,19,21,22)
InChIKeyBTZXDKJHWCSNHX-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.92
Rot. Bonds3

About 3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol

3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol (PubChem CID 137417576) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol
PubChem CID137417576
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol
SMILESNc1cc(NC2CCCC(O)C2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C18H21N5O/c19-18-10-17(21-12-2-1-3-13(24)9-12)14-5-4-11(8-16(14)22-18)15-6-7-20-23-15/h4-8,10,12-13,24H,1-3,9H2,(H,20,23)(H3,19,21,22)
InChIKeyBTZXDKJHWCSNHX-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 3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol (CID 137417576) is 3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol is Nc1cc(NC2CCCC(O)C2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is BTZXDKJHWCSNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c19-18-10-17(21-12-2-1-3-13(24)9-12)14-5-4-11(8-16(14)22-18)15-6-7-20-23-15/h4-8,10,12-13,24H,1-3,9H2,(H,20,23)(H3,19,21,22).
What are the key properties of 3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol?
3-[[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 3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 137417576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).