4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine

C19H20N4O — CID 3151039

IUPAC4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine
SMILESc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C19H20N4O/c1-2-7-14(8-3-1)21-19-22-17-11-5-4-10-16(17)18(23-19)20-13-15-9-6-12-24-15/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,20,21,22,23)
InChIKeyDBJGRJGQBVJKIT-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.96
Rot. Bonds5

About 4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine

4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine (PubChem CID 3151039) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine
PubChem CID3151039
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine
SMILESc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1
InChIInChI=1S/C19H20N4O/c1-2-7-14(8-3-1)21-19-22-17-11-5-4-10-16(17)18(23-19)20-13-15-9-6-12-24-15/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,20,21,22,23)
InChIKeyDBJGRJGQBVJKIT-UHFFFAOYSA-N
XLogP3.96
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine (CID 3151039) is 4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine is c1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1.
What is the InChIKey of 4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine?
The InChIKey is DBJGRJGQBVJKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-7-14(8-3-1)21-19-22-17-11-5-4-10-16(17)18(23-19)20-13-15-9-6-12-24-15/h1-5,7-8,10-11,15H,6,9,12-13H2,(H2,20,21,22,23).
What are the key properties of 4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine?
4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine has a molecular weight of 320.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxolan-2-ylmethyl)-2-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 3151039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).