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

C14H12N4O2 — CID 155559677

IUPAC7-methoxy-N-(1H-pyrazol-5-yl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccn[nH]3)cnc2c1
InChIInChI=1S/C14H12N4O2/c1-20-11-3-2-9-6-10(8-15-12(9)7-11)14(19)17-13-4-5-16-18-13/h2-8H,1H3,(H2,16,17,18,19)
InChIKeyNULURJPEFCOVKI-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.22
Rot. Bonds3

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

7-methoxy-N-(1H-pyrazol-5-yl)quinoline-3-carboxamide (PubChem CID 155559677) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 7-methoxy-N-(1H-pyrazol-5-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(1H-pyrazol-5-yl)quinoline-3-carboxamide
PubChem CID155559677
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name7-methoxy-N-(1H-pyrazol-5-yl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3ccn[nH]3)cnc2c1
InChIInChI=1S/C14H12N4O2/c1-20-11-3-2-9-6-10(8-15-12(9)7-11)14(19)17-13-4-5-16-18-13/h2-8H,1H3,(H2,16,17,18,19)
InChIKeyNULURJPEFCOVKI-UHFFFAOYSA-N
XLogP2.22
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.22
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-yl)quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-(1H-pyrazol-5-yl)quinoline-3-carboxamide (CID 155559677) is 7-methoxy-N-(1H-pyrazol-5-yl)quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(1H-pyrazol-5-yl)quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(1H-pyrazol-5-yl)quinoline-3-carboxamide is COc1ccc2cc(C(=O)Nc3ccn[nH]3)cnc2c1.
What is the InChIKey of 7-methoxy-N-(1H-pyrazol-5-yl)quinoline-3-carboxamide?
The InChIKey is NULURJPEFCOVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-20-11-3-2-9-6-10(8-15-12(9)7-11)14(19)17-13-4-5-16-18-13/h2-8H,1H3,(H2,16,17,18,19).
What are the key properties of 7-methoxy-N-(1H-pyrazol-5-yl)quinoline-3-carboxamide?
7-methoxy-N-(1H-pyrazol-5-yl)quinoline-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.22, 3 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-yl)quinoline-3-carboxamide is sourced from PubChem (CID 155559677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).