2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid

C16H16N4O3 — CID 146662197

IUPAC2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid
SMILESCN(CCn1cc(-c2cnc3ccc(O)cc3c2)cn1)C(=O)O
InChIInChI=1S/C16H16N4O3/c1-19(16(22)23)4-5-20-10-13(9-18-20)12-6-11-7-14(21)2-3-15(11)17-8-12/h2-3,6-10,21H,4-5H2,1H3,(H,22,23)
InChIKeyFQTQNKCRYSSEHO-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.41
Rot. Bonds4

About 2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid

2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid (PubChem CID 146662197) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid
PubChem CID146662197
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid
SMILESCN(CCn1cc(-c2cnc3ccc(O)cc3c2)cn1)C(=O)O
InChIInChI=1S/C16H16N4O3/c1-19(16(22)23)4-5-20-10-13(9-18-20)12-6-11-7-14(21)2-3-15(11)17-8-12/h2-3,6-10,21H,4-5H2,1H3,(H,22,23)
InChIKeyFQTQNKCRYSSEHO-UHFFFAOYSA-N
XLogP2.41
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid?
The IUPAC name of 2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid (CID 146662197) is 2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid.
What is the SMILES notation for 2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid?
The canonical SMILES for 2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid is CN(CCn1cc(-c2cnc3ccc(O)cc3c2)cn1)C(=O)O.
What is the InChIKey of 2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid?
The InChIKey is FQTQNKCRYSSEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-19(16(22)23)4-5-20-10-13(9-18-20)12-6-11-7-14(21)2-3-15(11)17-8-12/h2-3,6-10,21H,4-5H2,1H3,(H,22,23).
What are the key properties of 2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid?
2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid has a molecular weight of 312.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-hydroxyquinolin-3-yl)pyrazol-1-yl]ethyl-methylcarbamic acid is sourced from PubChem (CID 146662197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).