2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C17H21N3O — CID 106793023

IUPAC2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2ccc(C)cc2OC)nc2c1CCCC2
InChIInChI=1S/C17H21N3O/c1-11-8-9-13(15(10-11)21-3)17-19-14-7-5-4-6-12(14)16(18-2)20-17/h8-10H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyQGRSWDWYJQDIIE-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.38
Rot. Bonds3

About 2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 106793023) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID106793023
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2ccc(C)cc2OC)nc2c1CCCC2
InChIInChI=1S/C17H21N3O/c1-11-8-9-13(15(10-11)21-3)17-19-14-7-5-4-6-12(14)16(18-2)20-17/h8-10H,4-7H2,1-3H3,(H,18,19,20)
InChIKeyQGRSWDWYJQDIIE-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 106793023) is 2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(-c2ccc(C)cc2OC)nc2c1CCCC2.
What is the InChIKey of 2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is QGRSWDWYJQDIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-8-9-13(15(10-11)21-3)17-19-14-7-5-4-6-12(14)16(18-2)20-17/h8-10H,4-7H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 106793023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).