7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide

C16H14N4O2 — CID 155520357

IUPAC7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccncn3)cnc2c1
InChIInChI=1S/C16H14N4O2/c1-22-14-3-2-11-6-12(8-18-15(11)7-14)16(21)19-9-13-4-5-17-10-20-13/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyMIOXYZAUPGDXMH-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.96
Rot. Bonds4

About 7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide

7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide (PubChem CID 155520357) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide
PubChem CID155520357
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccncn3)cnc2c1
InChIInChI=1S/C16H14N4O2/c1-22-14-3-2-11-6-12(8-18-15(11)7-14)16(21)19-9-13-4-5-17-10-20-13/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyMIOXYZAUPGDXMH-UHFFFAOYSA-N
XLogP1.96
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide (CID 155520357) is 7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide is COc1ccc2cc(C(=O)NCc3ccncn3)cnc2c1.
What is the InChIKey of 7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide?
The InChIKey is MIOXYZAUPGDXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-14-3-2-11-6-12(8-18-15(11)7-14)16(21)19-9-13-4-5-17-10-20-13/h2-8,10H,9H2,1H3,(H,19,21).
What are the key properties of 7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide?
7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(pyrimidin-4-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 155520357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).