6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one

C16H18N4O2 — CID 167861525

IUPAC6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one
SMILESCOCCn1cc(CNc2ccc3[nH]ccc(=O)c3c2)cn1
InChIInChI=1S/C16H18N4O2/c1-22-7-6-20-11-12(10-19-20)9-18-13-2-3-15-14(8-13)16(21)4-5-17-15/h2-5,8,10-11,18H,6-7,9H2,1H3,(H,17,21)
InChIKeyKRTSQYLGFZFCHG-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.98
Rot. Bonds6

About 6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one

6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one (PubChem CID 167861525) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one
PubChem CID167861525
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one
SMILESCOCCn1cc(CNc2ccc3[nH]ccc(=O)c3c2)cn1
InChIInChI=1S/C16H18N4O2/c1-22-7-6-20-11-12(10-19-20)9-18-13-2-3-15-14(8-13)16(21)4-5-17-15/h2-5,8,10-11,18H,6-7,9H2,1H3,(H,17,21)
InChIKeyKRTSQYLGFZFCHG-UHFFFAOYSA-N
XLogP1.98
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one?
The IUPAC name of 6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one (CID 167861525) is 6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one.
What is the SMILES notation for 6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one?
The canonical SMILES for 6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one is COCCn1cc(CNc2ccc3[nH]ccc(=O)c3c2)cn1.
What is the InChIKey of 6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one?
The InChIKey is KRTSQYLGFZFCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-7-6-20-11-12(10-19-20)9-18-13-2-3-15-14(8-13)16(21)4-5-17-15/h2-5,8,10-11,18H,6-7,9H2,1H3,(H,17,21).
What are the key properties of 6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one?
6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one has a molecular weight of 298.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-1H-quinolin-4-one is sourced from PubChem (CID 167861525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).