2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine

C23H22N4O — CID 71691168

IUPAC2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cccc(C)c3C)nc3ccccc23)cc1
InChIInChI=1S/C23H22N4O/c1-15-7-6-10-20(16(15)2)25-23-26-21-9-5-4-8-19(21)22(27-23)24-17-11-13-18(28-3)14-12-17/h4-14H,1-3H3,(H2,24,25,26,27)
InChIKeyODNXULZTNQVKGH-UHFFFAOYSA-N
MW370.46 g/mol
LogP5.74
Rot. Bonds5

About 2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine

2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine (PubChem CID 71691168) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
PubChem CID71691168
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cccc(C)c3C)nc3ccccc23)cc1
InChIInChI=1S/C23H22N4O/c1-15-7-6-10-20(16(15)2)25-23-26-21-9-5-4-8-19(21)22(27-23)24-17-11-13-18(28-3)14-12-17/h4-14H,1-3H3,(H2,24,25,26,27)
InChIKeyODNXULZTNQVKGH-UHFFFAOYSA-N
XLogP5.74
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.46
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691183
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
2-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]-4-methylphenol
CID 71691173
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690632
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631
2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
CID 67725035
3-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]benzoic acid
CID 71691164
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
4-N-(2,3-dimethylphenyl)quinazoline-2,4-diamine
CID 80761965
2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol
CID 19988726
2-N-(5-chloro-2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine
CID 71690554
2-N-(4-chloro-2-methylphenyl)-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 71690634

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine (CID 71691168) is 2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine is COc1ccc(Nc2nc(Nc3cccc(C)c3C)nc3ccccc23)cc1.
What is the InChIKey of 2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is ODNXULZTNQVKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-7-6-10-20(16(15)2)25-23-26-21-9-5-4-8-19(21)22(27-23)24-17-11-13-18(28-3)14-12-17/h4-14H,1-3H3,(H2,24,25,26,27).
What are the key properties of 2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine?
2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 370.46 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 71691168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).