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

C8H9ClN2 — CID 12582969

IUPAC4-chloro-5,6,7,8-tetrahydroquinazoline
SMILESClc1ncnc2c1CCCC2
InChIInChI=1S/C8H9ClN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h5H,1-4H2
InChIKeyAHCZEYDUHAFFKD-UHFFFAOYSA-N
MW168.63 g/mol
LogP2.01
Rot. Bonds

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

4-chloro-5,6,7,8-tetrahydroquinazoline (PubChem CID 12582969) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 4-chloro-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-5,6,7,8-tetrahydroquinazoline
PubChem CID12582969
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name4-chloro-5,6,7,8-tetrahydroquinazoline
SMILESClc1ncnc2c1CCCC2
InChIInChI=1S/C8H9ClN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h5H,1-4H2
InChIKeyAHCZEYDUHAFFKD-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 4-chloro-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-5,6,7,8-tetrahydroquinazoline (CID 12582969) is 4-chloro-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-5,6,7,8-tetrahydroquinazoline is Clc1ncnc2c1CCCC2.
What is the InChIKey of 4-chloro-5,6,7,8-tetrahydroquinazoline?
The InChIKey is AHCZEYDUHAFFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h5H,1-4H2.
What are the key properties of 4-chloro-5,6,7,8-tetrahydroquinazoline?
4-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 4-chloro-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 12582969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).