7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide

C15H14N4O2 — CID 155533894

IUPAC7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccn[nH]3)cnc2c1
InChIInChI=1S/C15H14N4O2/c1-21-13-3-2-10-6-11(8-16-14(10)7-13)15(20)17-9-12-4-5-18-19-12/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyASZIXHKCZNCQAP-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.90
Rot. Bonds4

About 7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide

7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide (PubChem CID 155533894) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide
PubChem CID155533894
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccn[nH]3)cnc2c1
InChIInChI=1S/C15H14N4O2/c1-21-13-3-2-10-6-11(8-16-14(10)7-13)15(20)17-9-12-4-5-18-19-12/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyASZIXHKCZNCQAP-UHFFFAOYSA-N
XLogP1.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide (CID 155533894) is 7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide is COc1ccc2cc(C(=O)NCc3ccn[nH]3)cnc2c1.
What is the InChIKey of 7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide?
The InChIKey is ASZIXHKCZNCQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-13-3-2-10-6-11(8-16-14(10)7-13)15(20)17-9-12-4-5-18-19-12/h2-8H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide?
7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 155533894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).