2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine

C24H24N4O2 — CID 91963270

IUPAC2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1ccccc1CNc1nc(Nc2cc(C)ccc2OC)nc2ccccc12
InChIInChI=1S/C24H24N4O2/c1-16-12-13-22(30-3)20(14-16)27-24-26-19-10-6-5-9-18(19)23(28-24)25-15-17-8-4-7-11-21(17)29-2/h4-14H,15H2,1-3H3,(H2,25,26,27,28)
InChIKeyROOCUHVYJHMHSK-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.31
Rot. Bonds7

About 2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine

2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine (PubChem CID 91963270) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
PubChem CID91963270
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1ccccc1CNc1nc(Nc2cc(C)ccc2OC)nc2ccccc12
InChIInChI=1S/C24H24N4O2/c1-16-12-13-22(30-3)20(14-16)27-24-26-19-10-6-5-9-18(19)23(28-24)25-15-17-8-4-7-11-21(17)29-2/h4-14H,15H2,1-3H3,(H2,25,26,27,28)
InChIKeyROOCUHVYJHMHSK-UHFFFAOYSA-N
XLogP5.31
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol
CID 91964124
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 91963240
4-N-[(2-chlorophenyl)methyl]-2-N-(2,5-dimethylphenyl)quinazoline-2,4-diamine
CID 71690708
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid
CID 91963258
4-N-[(2-chlorophenyl)methyl]-2-N-(2,4-dimethylphenyl)quinazoline-2,4-diamine
CID 71690707
1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol
CID 91963252
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
4-methyl-2-[[4-[(4-methylphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 71690802
4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine
CID 91963294
2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39386889
2-[[2-(5-chloro-2-methoxyanilino)quinazolin-4-yl]amino]ethanol;hydrochloride
CID 2973041

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine (CID 91963270) is 2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine is COc1ccccc1CNc1nc(Nc2cc(C)ccc2OC)nc2ccccc12.
What is the InChIKey of 2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine?
The InChIKey is ROOCUHVYJHMHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-12-13-22(30-3)20(14-16)27-24-26-19-10-6-5-9-18(19)23(28-24)25-15-17-8-4-7-11-21(17)29-2/h4-14H,15H2,1-3H3,(H2,25,26,27,28).
What are the key properties of 2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine?
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine has a molecular weight of 400.48 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 91963270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).