2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide

C20H14N6O — CID 122444930

IUPAC2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
SMILESN#Cc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12
InChIInChI=1S/C20H14N6O/c21-10-13-5-2-8-15-17(13)25-20(22)26-18(15)19(27)24-11-14-6-1-4-12-7-3-9-23-16(12)14/h1-9H,11H2,(H,24,27)(H2,22,25,26)
InChIKeyYACYXBXLISLWRE-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.56
Rot. Bonds3

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

2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide (PubChem CID 122444930) has the molecular formula C20H14N6O and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
PubChem CID122444930
Molecular FormulaC20H14N6O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
SMILESN#Cc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12
InChIInChI=1S/C20H14N6O/c21-10-13-5-2-8-15-17(13)25-20(22)26-18(15)19(27)24-11-14-6-1-4-12-7-3-9-23-16(12)14/h1-9H,11H2,(H,24,27)(H2,22,25,26)
InChIKeyYACYXBXLISLWRE-UHFFFAOYSA-N
XLogP2.56
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide (CID 122444930) is 2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide is N#Cc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12.
What is the InChIKey of 2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The InChIKey is YACYXBXLISLWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O/c21-10-13-5-2-8-15-17(13)25-20(22)26-18(15)19(27)24-11-14-6-1-4-12-7-3-9-23-16(12)14/h1-9H,11H2,(H,24,27)(H2,22,25,26).
What are the key properties of 2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-cyano-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide is sourced from PubChem (CID 122444930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).