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

C23H22N4O2 — CID 71690865

IUPAC2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1ccc(CNc2nc(Nc3ccc(OC)cc3)nc3ccccc23)cc1
InChIInChI=1S/C23H22N4O2/c1-28-18-11-7-16(8-12-18)15-24-22-20-5-3-4-6-21(20)26-23(27-22)25-17-9-13-19(29-2)14-10-17/h3-14H,15H2,1-2H3,(H2,24,25,26,27)
InChIKeyOGLSZPBYOOLHAL-UHFFFAOYSA-N
MW386.46 g/mol
LogP5.00
Rot. Bonds7

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

2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine (PubChem CID 71690865) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
PubChem CID71690865
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1ccc(CNc2nc(Nc3ccc(OC)cc3)nc3ccccc23)cc1
InChIInChI=1S/C23H22N4O2/c1-28-18-11-7-16(8-12-18)15-24-22-20-5-3-4-6-21(20)26-23(27-22)25-17-9-13-19(29-2)14-10-17/h3-14H,15H2,1-2H3,(H2,24,25,26,27)
InChIKeyOGLSZPBYOOLHAL-UHFFFAOYSA-N
XLogP5.00
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631
methyl 4-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]benzoate
CID 71690791
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
2-N-[4-(dimethylamino)phenyl]-4-N-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
CID 91963396
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
CID 67725035
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-[[4-[[4-(3-methoxyanilino)quinazolin-2-yl]amino]phenyl]methyl]methanesulfonamide
CID 54460110
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine
CID 71690729

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine (CID 71690865) is 2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine is COc1ccc(CNc2nc(Nc3ccc(OC)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The InChIKey is OGLSZPBYOOLHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-28-18-11-7-16(8-12-18)15-24-22-20-5-3-4-6-21(20)26-23(27-22)25-17-9-13-19(29-2)14-10-17/h3-14H,15H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine?
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine has a molecular weight of 386.46 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 71690865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).