N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide

C25H22N4O2 — CID 2461800

IUPACN-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C25H22N4O2/c30-25(28-22-7-3-4-8-24(22)29-13-15-31-16-14-29)20-17-23(18-9-11-26-12-10-18)27-21-6-2-1-5-19(20)21/h1-12,17H,13-16H2,(H,28,30)
InChIKeyZBLHKJMPDFGDTA-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.39
Rot. Bonds4

About N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2461800) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2461800
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C25H22N4O2/c30-25(28-22-7-3-4-8-24(22)29-13-15-31-16-14-29)20-17-23(18-9-11-26-12-10-18)27-21-6-2-1-5-19(20)21/h1-12,17H,13-16H2,(H,28,30)
InChIKeyZBLHKJMPDFGDTA-UHFFFAOYSA-N
XLogP4.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 2461800) is N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is ZBLHKJMPDFGDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-25(28-22-7-3-4-8-24(22)29-13-15-31-16-14-29)20-17-23(18-9-11-26-12-10-18)27-21-6-2-1-5-19(20)21/h1-12,17H,13-16H2,(H,28,30).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2461800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).