N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine

C17H17N3O — CID 91644459

IUPACN-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc(C)ccc1CNc1ncnc2ccccc12
InChIInChI=1S/C17H17N3O/c1-12-7-8-13(16(9-12)21-2)10-18-17-14-5-3-4-6-15(14)19-11-20-17/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyZOCXGQQMFQQPMX-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.56
Rot. Bonds4

About N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine

N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine (PubChem CID 91644459) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
PubChem CID91644459
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc(C)ccc1CNc1ncnc2ccccc12
InChIInChI=1S/C17H17N3O/c1-12-7-8-13(16(9-12)21-2)10-18-17-14-5-3-4-6-15(14)19-11-20-17/h3-9,11H,10H2,1-2H3,(H,18,19,20)
InChIKeyZOCXGQQMFQQPMX-UHFFFAOYSA-N
XLogP3.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine?
The IUPAC name of N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine (CID 91644459) is N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine is COc1cc(C)ccc1CNc1ncnc2ccccc12.
What is the InChIKey of N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine?
The InChIKey is ZOCXGQQMFQQPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-7-8-13(16(9-12)21-2)10-18-17-14-5-3-4-6-15(14)19-11-20-17/h3-9,11H,10H2,1-2H3,(H,18,19,20).
What are the key properties of N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine?
N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 91644459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).