2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol

C15H15ClN4O — CID 133323516

IUPAC2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)CNc2ccnc3ccc(Cl)cc23)cn1
InChIInChI=1S/C15H15ClN4O/c1-20-9-10(7-19-20)15(21)8-18-14-4-5-17-13-3-2-11(16)6-12(13)14/h2-7,9,15,21H,8H2,1H3,(H,17,18)
InChIKeyUUODWMFNSZLDFM-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.77
Rot. Bonds4

About 2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol

2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 133323516) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID133323516
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(C(O)CNc2ccnc3ccc(Cl)cc23)cn1
InChIInChI=1S/C15H15ClN4O/c1-20-9-10(7-19-20)15(21)8-18-14-4-5-17-13-3-2-11(16)6-12(13)14/h2-7,9,15,21H,8H2,1H3,(H,17,18)
InChIKeyUUODWMFNSZLDFM-UHFFFAOYSA-N
XLogP2.77
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol (CID 133323516) is 2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol is Cn1cc(C(O)CNc2ccnc3ccc(Cl)cc23)cn1.
What is the InChIKey of 2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is UUODWMFNSZLDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-20-9-10(7-19-20)15(21)8-18-14-4-5-17-13-3-2-11(16)6-12(13)14/h2-7,9,15,21H,8H2,1H3,(H,17,18).
What are the key properties of 2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol?
2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 302.77 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 133323516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).