5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline

C9H11ClN2 — CID 142693137

IUPAC5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline
SMILESCC1NCNc2cccc(Cl)c21
InChIInChI=1S/C9H11ClN2/c1-6-9-7(10)3-2-4-8(9)12-5-11-6/h2-4,6,11-12H,5H2,1H3
InChIKeyJELJYZYRXUJITH-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.37
Rot. Bonds

About 5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline

5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline (PubChem CID 142693137) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

Compound Name5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline
PubChem CID142693137
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline
SMILESCC1NCNc2cccc(Cl)c21
InChIInChI=1S/C9H11ClN2/c1-6-9-7(10)3-2-4-8(9)12-5-11-6/h2-4,6,11-12H,5H2,1H3
InChIKeyJELJYZYRXUJITH-UHFFFAOYSA-N
XLogP2.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline?
The IUPAC name of 5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline (CID 142693137) is 5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline.
What is the SMILES notation for 5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline?
The canonical SMILES for 5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline is CC1NCNc2cccc(Cl)c21.
What is the InChIKey of 5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline?
The InChIKey is JELJYZYRXUJITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-6-9-7(10)3-2-4-8(9)12-5-11-6/h2-4,6,11-12H,5H2,1H3.
What are the key properties of 5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline?
5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline has a molecular weight of 182.65 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 142693137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).