5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine

C23H20N4 — CID 126518660

IUPAC5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESC/C=C/c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C23H20N4/c1-2-9-21-26-20-14-8-13-19(17-10-4-3-5-11-17)22(20)23(27-21)25-16-18-12-6-7-15-24-18/h2-15H,16H2,1H3,(H,25,26,27)/b9-2+
InChIKeyXNMGGHODSRUTIR-XNWCZRBMSA-N
MW352.44 g/mol
LogP5.34
Rot. Bonds5

About 5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine

5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine (PubChem CID 126518660) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine
PubChem CID126518660
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESC/C=C/c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C23H20N4/c1-2-9-21-26-20-14-8-13-19(17-10-4-3-5-11-17)22(20)23(27-21)25-16-18-12-6-7-15-24-18/h2-15H,16H2,1H3,(H,25,26,27)/b9-2+
InChIKeyXNMGGHODSRUTIR-XNWCZRBMSA-N
XLogP5.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine (CID 126518660) is 5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine is C/C=C/c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1.
What is the InChIKey of 5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The InChIKey is XNMGGHODSRUTIR-XNWCZRBMSA-N. The full InChI is InChI=1S/C23H20N4/c1-2-9-21-26-20-14-8-13-19(17-10-4-3-5-11-17)22(20)23(27-21)25-16-18-12-6-7-15-24-18/h2-15H,16H2,1H3,(H,25,26,27)/b9-2+.
What are the key properties of 5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(E)-prop-1-enyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 126518660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).