2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

C20H20N4O2 — CID 24719999

IUPAC2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(N2CCOCC2)nc2ccccc12
InChIInChI=1S/C20H20N4O2/c25-20(22-14-15-4-3-7-21-13-15)17-12-19(24-8-10-26-11-9-24)23-18-6-2-1-5-16(17)18/h1-7,12-13H,8-11,14H2,(H,22,25)
InChIKeySZZMGTPAFLZURI-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.40
Rot. Bonds4

About 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (PubChem CID 24719999) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
PubChem CID24719999
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(N2CCOCC2)nc2ccccc12
InChIInChI=1S/C20H20N4O2/c25-20(22-14-15-4-3-7-21-13-15)17-12-19(24-8-10-26-11-9-24)23-18-6-2-1-5-16(17)18/h1-7,12-13H,8-11,14H2,(H,22,25)
InChIKeySZZMGTPAFLZURI-UHFFFAOYSA-N
XLogP2.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (CID 24719999) is 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is O=C(NCc1cccnc1)c1cc(N2CCOCC2)nc2ccccc12.
What is the InChIKey of 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The InChIKey is SZZMGTPAFLZURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(22-14-15-4-3-7-21-13-15)17-12-19(24-8-10-26-11-9-24)23-18-6-2-1-5-16(17)18/h1-7,12-13H,8-11,14H2,(H,22,25).
What are the key properties of 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 24719999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).