4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine

C23H22N4O — CID 19988703

IUPAC4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1ccccc1CNc1nc(Nc2ccccc2C)nc2ccccc12
InChIInChI=1S/C23H22N4O/c1-16-9-3-6-12-19(16)25-23-26-20-13-7-5-11-18(20)22(27-23)24-15-17-10-4-8-14-21(17)28-2/h3-14H,15H2,1-2H3,(H2,24,25,26,27)
InChIKeyUJCSIJJTGHOFQB-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.30
Rot. Bonds6

About 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine

4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine (PubChem CID 19988703) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
PubChem CID19988703
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1ccccc1CNc1nc(Nc2ccccc2C)nc2ccccc12
InChIInChI=1S/C23H22N4O/c1-16-9-3-6-12-19(16)25-23-26-20-13-7-5-11-18(20)22(27-23)24-15-17-10-4-8-14-21(17)28-2/h3-14H,15H2,1-2H3,(H2,24,25,26,27)
InChIKeyUJCSIJJTGHOFQB-UHFFFAOYSA-N
XLogP5.30
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine (CID 19988703) is 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine is COc1ccccc1CNc1nc(Nc2ccccc2C)nc2ccccc12.
What is the InChIKey of 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is UJCSIJJTGHOFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-9-3-6-12-19(16)25-23-26-20-13-7-5-11-18(20)22(27-23)24-15-17-10-4-8-14-21(17)28-2/h3-14H,15H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine?
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 370.46 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 19988703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).