2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide

C22H18N4O — CID 23644840

IUPAC2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccccc1NCc1ccncc1
InChIInChI=1S/C22H18N4O/c27-22(26-18-13-17-5-1-3-7-20(17)25-15-18)19-6-2-4-8-21(19)24-14-16-9-11-23-12-10-16/h1-13,15,24H,14H2,(H,26,27)
InChIKeyQPJBZGJXBJLNQV-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.49
Rot. Bonds5

About 2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide

2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide (PubChem CID 23644840) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide
PubChem CID23644840
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide
SMILESO=C(Nc1cnc2ccccc2c1)c1ccccc1NCc1ccncc1
InChIInChI=1S/C22H18N4O/c27-22(26-18-13-17-5-1-3-7-20(17)25-15-18)19-6-2-4-8-21(19)24-14-16-9-11-23-12-10-16/h1-13,15,24H,14H2,(H,26,27)
InChIKeyQPJBZGJXBJLNQV-UHFFFAOYSA-N
XLogP4.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide?
The IUPAC name of 2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide (CID 23644840) is 2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide?
The canonical SMILES for 2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide is O=C(Nc1cnc2ccccc2c1)c1ccccc1NCc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide?
The InChIKey is QPJBZGJXBJLNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(26-18-13-17-5-1-3-7-20(17)25-15-18)19-6-2-4-8-21(19)24-14-16-9-11-23-12-10-16/h1-13,15,24H,14H2,(H,26,27).
What are the key properties of 2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide?
2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethylamino)-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 23644840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).