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

C15H15Cl2N3 — CID 63479501

IUPAC2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2cc(Cl)cc(Cl)c2)nc2c1CCCC2
InChIInChI=1S/C15H15Cl2N3/c1-18-15-12-4-2-3-5-13(12)19-14(20-15)9-6-10(16)8-11(17)7-9/h6-8H,2-5H2,1H3,(H,18,19,20)
InChIKeyOIHYGUJUAVDYIC-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.37
Rot. Bonds2

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

2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 63479501) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID63479501
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2cc(Cl)cc(Cl)c2)nc2c1CCCC2
InChIInChI=1S/C15H15Cl2N3/c1-18-15-12-4-2-3-5-13(12)19-14(20-15)9-6-10(16)8-11(17)7-9/h6-8H,2-5H2,1H3,(H,18,19,20)
InChIKeyOIHYGUJUAVDYIC-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 63479501) is 2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(-c2cc(Cl)cc(Cl)c2)nc2c1CCCC2.
What is the InChIKey of 2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is OIHYGUJUAVDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c1-18-15-12-4-2-3-5-13(12)19-14(20-15)9-6-10(16)8-11(17)7-9/h6-8H,2-5H2,1H3,(H,18,19,20).
What are the key properties of 2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 308.21 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 63479501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).