4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine

C16H19N3O — CID 155523256

IUPAC4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCOc1cccc(-c2nc(N)nc3c2CCCC3C)c1
InChIInChI=1S/C16H19N3O/c1-10-5-3-8-13-14(10)18-16(17)19-15(13)11-6-4-7-12(9-11)20-2/h4,6-7,9-10H,3,5,8H2,1-2H3,(H2,17,18,19)
InChIKeyGXCHTBPCLXWHRK-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.17
Rot. Bonds2

About 4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine

4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 155523256) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID155523256
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCOc1cccc(-c2nc(N)nc3c2CCCC3C)c1
InChIInChI=1S/C16H19N3O/c1-10-5-3-8-13-14(10)18-16(17)19-15(13)11-6-4-7-12(9-11)20-2/h4,6-7,9-10H,3,5,8H2,1-2H3,(H2,17,18,19)
InChIKeyGXCHTBPCLXWHRK-UHFFFAOYSA-N
XLogP3.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 155523256) is 4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine is COc1cccc(-c2nc(N)nc3c2CCCC3C)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is GXCHTBPCLXWHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-5-3-8-13-14(10)18-16(17)19-15(13)11-6-4-7-12(9-11)20-2/h4,6-7,9-10H,3,5,8H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 155523256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).