4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline

C9H11ClN2 — CID 19744207

IUPAC4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C9H11ClN2/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h2-5H2,1H3
InChIKeyPVACCUIMOFKWKB-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.32
Rot. Bonds

About 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline

4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 19744207) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
PubChem CID19744207
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
SMILESCc1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C9H11ClN2/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h2-5H2,1H3
InChIKeyPVACCUIMOFKWKB-UHFFFAOYSA-N
XLogP2.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline (CID 19744207) is 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline is Cc1nc(Cl)c2c(n1)CCCC2.
What is the InChIKey of 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is PVACCUIMOFKWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h2-5H2,1H3.
What are the key properties of 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 182.65 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 19744207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).