2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine

C16H16N4O — CID 50947631

IUPAC2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(Nc2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C16H16N4O/c1-17-15-13-5-3-4-6-14(13)19-16(20-15)18-11-7-9-12(21-2)10-8-11/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyZEXOTOJJEIBRDN-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.42
Rot. Bonds4

About 2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine

2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine (PubChem CID 50947631) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
PubChem CID50947631
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(Nc2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C16H16N4O/c1-17-15-13-5-3-4-6-14(13)19-16(20-15)18-11-7-9-12(21-2)10-8-11/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKeyZEXOTOJJEIBRDN-UHFFFAOYSA-N
XLogP3.42
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
2-N-(4-fluorophenyl)-4-N-methylquinazoline-2,4-diamine;hydrochloride
CID 146065336
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
CID 67725035
2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691168
3-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]benzoic acid
CID 71691164
4-N-[(4-methoxyphenyl)methyl]-2-N-pyridin-4-ylquinazoline-2,4-diamine
CID 71690909
2-N-(4-methoxyphenyl)-2-N,4-N-dimethylquinazoline-2,4-diamine
CID 127043185
2-N-(3-chloro-2-methylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691183
2-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]-4-methylphenol
CID 71691173
ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine
CID 143177747
N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine
CID 2095932

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine (CID 50947631) is 2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine is CNc1nc(Nc2ccc(OC)cc2)nc2ccccc12.
What is the InChIKey of 2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine?
The InChIKey is ZEXOTOJJEIBRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-17-15-13-5-3-4-6-14(13)19-16(20-15)18-11-7-9-12(21-2)10-8-11/h3-10H,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine?
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine has a molecular weight of 280.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 50947631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).