6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine

C19H20N4O — CID 72877134

IUPAC6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C19H20N4O/c20-19-17-11-16(4-5-18(17)21-13-22-19)15-3-1-2-14(10-15)12-23-6-8-24-9-7-23/h1-5,10-11,13H,6-9,12H2,(H2,20,21,22)
InChIKeyIZQYICRILZCNKU-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.71
Rot. Bonds3

About 6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine

6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine (PubChem CID 72877134) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
PubChem CID72877134
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C19H20N4O/c20-19-17-11-16(4-5-18(17)21-13-22-19)15-3-1-2-14(10-15)12-23-6-8-24-9-7-23/h1-5,10-11,13H,6-9,12H2,(H2,20,21,22)
InChIKeyIZQYICRILZCNKU-UHFFFAOYSA-N
XLogP2.71
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine?
The IUPAC name of 6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine (CID 72877134) is 6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine is Nc1ncnc2ccc(-c3cccc(CN4CCOCC4)c3)cc12.
What is the InChIKey of 6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine?
The InChIKey is IZQYICRILZCNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-19-17-11-16(4-5-18(17)21-13-22-19)15-3-1-2-14(10-15)12-23-6-8-24-9-7-23/h1-5,10-11,13H,6-9,12H2,(H2,20,21,22).
What are the key properties of 6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine?
6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine has a molecular weight of 320.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 72877134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).