N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine

C20H22N4O2 — CID 68516298

IUPACN-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
SMILESCOc1ccc(CNc2nc(N3CCOCC3)nc3ccccc23)cc1
InChIInChI=1S/C20H22N4O2/c1-25-16-8-6-15(7-9-16)14-21-19-17-4-2-3-5-18(17)22-20(23-19)24-10-12-26-13-11-24/h2-9H,10-14H2,1H3,(H,21,22,23)
InChIKeyJQCKXVYKGOCZKM-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.09
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine

N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine (PubChem CID 68516298) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
PubChem CID68516298
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
SMILESCOc1ccc(CNc2nc(N3CCOCC3)nc3ccccc23)cc1
InChIInChI=1S/C20H22N4O2/c1-25-16-8-6-15(7-9-16)14-21-19-17-4-2-3-5-18(17)22-20(23-19)24-10-12-26-13-11-24/h2-9H,10-14H2,1H3,(H,21,22,23)
InChIKeyJQCKXVYKGOCZKM-UHFFFAOYSA-N
XLogP3.09
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine (CID 68516298) is N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine is COc1ccc(CNc2nc(N3CCOCC3)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine?
The InChIKey is JQCKXVYKGOCZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-25-16-8-6-15(7-9-16)14-21-19-17-4-2-3-5-18(17)22-20(23-19)24-10-12-26-13-11-24/h2-9H,10-14H2,1H3,(H,21,22,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine?
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine has a molecular weight of 350.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine is sourced from PubChem (CID 68516298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).