2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine

C20H22N4O — CID 2950240

IUPAC2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine
SMILESCC(Nc1nc(N2CCOCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-15(16-7-3-2-4-8-16)21-19-17-9-5-6-10-18(17)22-20(23-19)24-11-13-25-14-12-24/h2-10,15H,11-14H2,1H3,(H,21,22,23)
InChIKeyXHYVKNDONGWIHK-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.64
Rot. Bonds4

About 2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine

2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine (PubChem CID 2950240) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine
PubChem CID2950240
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine
SMILESCC(Nc1nc(N2CCOCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-15(16-7-3-2-4-8-16)21-19-17-9-5-6-10-18(17)22-20(23-19)24-11-13-25-14-12-24/h2-10,15H,11-14H2,1H3,(H,21,22,23)
InChIKeyXHYVKNDONGWIHK-UHFFFAOYSA-N
XLogP3.64
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine (CID 2950240) is 2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine is CC(Nc1nc(N2CCOCC2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine?
The InChIKey is XHYVKNDONGWIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(16-7-3-2-4-8-16)21-19-17-9-5-6-10-18(17)22-20(23-19)24-11-13-25-14-12-24/h2-10,15H,11-14H2,1H3,(H,21,22,23).
What are the key properties of 2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine?
2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine has a molecular weight of 334.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(1-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 2950240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).