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

C17H18N4O — CID 19988693

IUPAC8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1cccc2c(NCc3ccccc3C)nc(N)nc12
InChIInChI=1S/C17H18N4O/c1-11-6-3-4-7-12(11)10-19-16-13-8-5-9-14(22-2)15(13)20-17(18)21-16/h3-9H,10H2,1-2H3,(H3,18,19,20,21)
InChIKeyOEQPFLJPWYZCKY-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.14
Rot. Bonds4

About 8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine

8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine (PubChem CID 19988693) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine
PubChem CID19988693
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine
SMILESCOc1cccc2c(NCc3ccccc3C)nc(N)nc12
InChIInChI=1S/C17H18N4O/c1-11-6-3-4-7-12(11)10-19-16-13-8-5-9-14(22-2)15(13)20-17(18)21-16/h3-9H,10H2,1-2H3,(H3,18,19,20,21)
InChIKeyOEQPFLJPWYZCKY-UHFFFAOYSA-N
XLogP3.14
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39804562
6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine
CID 86271615
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342
2-(2-amino-4,5-dimethyl-4,5-dihydroimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
CID 58523940
4-N-[(2-methoxyphenyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 55012041
N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
CID 19900495
4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine
CID 91963294
ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate
CID 159467255
N-[(2-methoxyphenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 8850825
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine
CID 10248595
3-ethyl-8-methoxy-2-methylquinolin-4-amine
CID 62203733
8-methoxy-2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 19988739

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine?
The IUPAC name of 8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine (CID 19988693) is 8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine.
What is the SMILES notation for 8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine?
The canonical SMILES for 8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine is COc1cccc2c(NCc3ccccc3C)nc(N)nc12.
What is the InChIKey of 8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine?
The InChIKey is OEQPFLJPWYZCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-6-3-4-7-12(11)10-19-16-13-8-5-9-14(22-2)15(13)20-17(18)21-16/h3-9H,10H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine?
8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine has a molecular weight of 294.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-N-[(2-methylphenyl)methyl]quinazoline-2,4-diamine is sourced from PubChem (CID 19988693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).