4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine

C17H18N4O — CID 68515659

IUPAC4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine
SMILESCOc1ccc(CNc2nc(C)nc3cc(N)ccc23)cc1
InChIInChI=1S/C17H18N4O/c1-11-20-16-9-13(18)5-8-15(16)17(21-11)19-10-12-3-6-14(22-2)7-4-12/h3-9H,10,18H2,1-2H3,(H,19,20,21)
InChIKeyCWOFTLUBMNZYJX-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.14
Rot. Bonds4

About 4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine

4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine (PubChem CID 68515659) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine
PubChem CID68515659
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine
SMILESCOc1ccc(CNc2nc(C)nc3cc(N)ccc23)cc1
InChIInChI=1S/C17H18N4O/c1-11-20-16-9-13(18)5-8-15(16)17(21-11)19-10-12-3-6-14(22-2)7-4-12/h3-9H,10,18H2,1-2H3,(H,19,20,21)
InChIKeyCWOFTLUBMNZYJX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N,4-N-dibenzyl-7-methoxyquinazoline-2,4-diamine
CID 46850885
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386
N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-6,7-dimethoxyquinazolin-4-amine;N-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyquinazolin-4-amine;4-[[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide;4-[[(7-methoxy-2-methylquinazolin-4-yl)amino]methyl]benzenesulfonamide
CID 162253272
N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide
CID 123471618
4-N-(4-methoxyphenyl)-4-N,2-dimethylquinazoline-4,7-diamine
CID 46883986
2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine
CID 43450854
1-ethyl-2-N-[(4-methoxyphenyl)methyl]benzimidazole-2,5-diamine
CID 73442424
4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine
CID 68515654
6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 115320291
N-(2,3-dihydro-1-benzothiophen-4-ylmethyl)-7-methoxy-2-methylquinazolin-4-amine
CID 174199141
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
2-(aminomethyl)-6-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 68516812

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine (CID 68515659) is 4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine is COc1ccc(CNc2nc(C)nc3cc(N)ccc23)cc1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine?
The InChIKey is CWOFTLUBMNZYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-20-16-9-13(18)5-8-15(16)17(21-11)19-10-12-3-6-14(22-2)7-4-12/h3-9H,10,18H2,1-2H3,(H,19,20,21).
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine?
4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-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 4-N-[(4-methoxyphenyl)methyl]-2-methylquinazoline-4,7-diamine is sourced from PubChem (CID 68515659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).