2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine

C24H22N4O — CID 67055951

IUPAC2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESC=C(OCC)c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C24H22N4O/c1-3-29-17(2)23-27-21-14-9-13-20(18-10-5-4-6-11-18)22(21)24(28-23)26-16-19-12-7-8-15-25-19/h4-15H,2-3,16H2,1H3,(H,26,27,28)
InChIKeyPQKVGSLMKNFVET-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.31
Rot. Bonds7

About 2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine

2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine (PubChem CID 67055951) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
PubChem CID67055951
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESC=C(OCC)c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C24H22N4O/c1-3-29-17(2)23-27-21-14-9-13-20(18-10-5-4-6-11-18)22(21)24(28-23)26-16-19-12-7-8-15-25-19/h4-15H,2-3,16H2,1H3,(H,26,27,28)
InChIKeyPQKVGSLMKNFVET-UHFFFAOYSA-N
XLogP5.31
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine (CID 67055951) is 2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine is C=C(OCC)c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1.
What is the InChIKey of 2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The InChIKey is PQKVGSLMKNFVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-3-29-17(2)23-27-21-14-9-13-20(18-10-5-4-6-11-18)22(21)24(28-23)26-16-19-12-7-8-15-25-19/h4-15H,2-3,16H2,1H3,(H,26,27,28).
What are the key properties of 2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine has a molecular weight of 382.47 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 67055951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).