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

C8H9ClN2 — CID 12933876

IUPAC2-chloro-5,6,7,8-tetrahydroquinazoline
SMILESClc1ncc2c(n1)CCCC2
InChIInChI=1S/C8H9ClN2/c9-8-10-5-6-3-1-2-4-7(6)11-8/h5H,1-4H2
InChIKeyOWQMLYNISASSPM-UHFFFAOYSA-N
MW168.63 g/mol
LogP2.01
Rot. Bonds

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

2-chloro-5,6,7,8-tetrahydroquinazoline (PubChem CID 12933876) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 2-chloro-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-chloro-5,6,7,8-tetrahydroquinazoline
PubChem CID12933876
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name2-chloro-5,6,7,8-tetrahydroquinazoline
SMILESClc1ncc2c(n1)CCCC2
InChIInChI=1S/C8H9ClN2/c9-8-10-5-6-3-1-2-4-7(6)11-8/h5H,1-4H2
InChIKeyOWQMLYNISASSPM-UHFFFAOYSA-N
XLogP2.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-chloro-5,6,7,8-tetrahydroquinazoline (CID 12933876) is 2-chloro-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-chloro-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-chloro-5,6,7,8-tetrahydroquinazoline is Clc1ncc2c(n1)CCCC2.
What is the InChIKey of 2-chloro-5,6,7,8-tetrahydroquinazoline?
The InChIKey is OWQMLYNISASSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c9-8-10-5-6-3-1-2-4-7(6)11-8/h5H,1-4H2.
What are the key properties of 2-chloro-5,6,7,8-tetrahydroquinazoline?
2-chloro-5,6,7,8-tetrahydroquinazoline has a molecular weight of 168.63 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 12933876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).