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

C25H26N4O2 — CID 67055972

IUPAC2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESCCOC(OCC)c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C25H26N4O2/c1-3-30-25(31-4-2)24-28-21-15-10-14-20(18-11-6-5-7-12-18)22(21)23(29-24)27-17-19-13-8-9-16-26-19/h5-16,25H,3-4,17H2,1-2H3,(H,27,28,29)
InChIKeyNFKWELYATRKUHF-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.38
Rot. Bonds9

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

2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine (PubChem CID 67055972) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
PubChem CID67055972
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
SMILESCCOC(OCC)c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C25H26N4O2/c1-3-30-25(31-4-2)24-28-21-15-10-14-20(18-11-6-5-7-12-18)22(21)23(29-24)27-17-19-13-8-9-16-26-19/h5-16,25H,3-4,17H2,1-2H3,(H,27,28,29)
InChIKeyNFKWELYATRKUHF-UHFFFAOYSA-N
XLogP5.38
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine (CID 67055972) is 2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine is CCOC(OCC)c1nc(NCc2ccccn2)c2c(-c3ccccc3)cccc2n1.
What is the InChIKey of 2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
The InChIKey is NFKWELYATRKUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-3-30-25(31-4-2)24-28-21-15-10-14-20(18-11-6-5-7-12-18)22(21)23(29-24)27-17-19-13-8-9-16-26-19/h5-16,25H,3-4,17H2,1-2H3,(H,27,28,29).
What are the key properties of 2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine?
2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine has a molecular weight of 414.51 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 67055972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).