4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine

C17H18N4O — CID 68515654

IUPAC4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine
SMILESCOc1ccc(C(N)c2nc(C)nc3cc(N)ccc23)cc1
InChIInChI=1S/C17H18N4O/c1-10-20-15-9-12(18)5-8-14(15)17(21-10)16(19)11-3-6-13(22-2)7-4-11/h3-9,16H,18-19H2,1-2H3
InChIKeyWODPRKSTRQJMQM-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.58
Rot. Bonds3

About 4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine

4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine (PubChem CID 68515654) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine.

Molecular Properties

Compound Name4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine
PubChem CID68515654
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine
SMILESCOc1ccc(C(N)c2nc(C)nc3cc(N)ccc23)cc1
InChIInChI=1S/C17H18N4O/c1-10-20-15-9-12(18)5-8-14(15)17(21-10)16(19)11-3-6-13(22-2)7-4-11/h3-9,16H,18-19H2,1-2H3
InChIKeyWODPRKSTRQJMQM-UHFFFAOYSA-N
XLogP2.58
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine?
The IUPAC name of 4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine (CID 68515654) is 4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine.
What is the SMILES notation for 4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine?
The canonical SMILES for 4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine is COc1ccc(C(N)c2nc(C)nc3cc(N)ccc23)cc1.
What is the InChIKey of 4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine?
The InChIKey is WODPRKSTRQJMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-10-20-15-9-12(18)5-8-14(15)17(21-10)16(19)11-3-6-13(22-2)7-4-11/h3-9,16H,18-19H2,1-2H3.
What are the key properties of 4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine?
4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine has a molecular weight of 294.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-methoxyphenyl)methyl]-2-methylquinazolin-7-amine is sourced from PubChem (CID 68515654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).