2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide

C20H16N4O — CID 127026187

IUPAC2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide
SMILESNc1cc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1
InChIInChI=1S/C20H16N4O/c21-18-11-16(15-8-1-2-9-17(15)24-18)20(25)23-12-14-6-3-5-13-7-4-10-22-19(13)14/h1-11H,12H2,(H2,21,24)(H,23,25)
InChIKeyYFALKJSXAAGGLK-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.30
Rot. Bonds3

About 2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide

2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide (PubChem CID 127026187) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide
PubChem CID127026187
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide
SMILESNc1cc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1
InChIInChI=1S/C20H16N4O/c21-18-11-16(15-8-1-2-9-17(15)24-18)20(25)23-12-14-6-3-5-13-7-4-10-22-19(13)14/h1-11H,12H2,(H2,21,24)(H,23,25)
InChIKeyYFALKJSXAAGGLK-UHFFFAOYSA-N
XLogP3.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide (CID 127026187) is 2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide is Nc1cc(C(=O)NCc2cccc3cccnc23)c2ccccc2n1.
What is the InChIKey of 2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide?
The InChIKey is YFALKJSXAAGGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c21-18-11-16(15-8-1-2-9-17(15)24-18)20(25)23-12-14-6-3-5-13-7-4-10-22-19(13)14/h1-11H,12H2,(H2,21,24)(H,23,25).
What are the key properties of 2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide?
2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(quinolin-8-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 127026187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).