4-chloro-5,8-dimethyl-7,8-dihydroquinazoline

C10H11ClN2 — CID 145143896

IUPAC4-chloro-5,8-dimethyl-7,8-dihydroquinazoline
SMILESCC1=CCC(C)c2ncnc(Cl)c21
InChIInChI=1S/C10H11ClN2/c1-6-3-4-7(2)9-8(6)10(11)13-5-12-9/h3,5,7H,4H2,1-2H3
InChIKeyXNRGTZNIOUXNKA-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.04
Rot. Bonds

About 4-chloro-5,8-dimethyl-7,8-dihydroquinazoline

4-chloro-5,8-dimethyl-7,8-dihydroquinazoline (PubChem CID 145143896) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 4-chloro-5,8-dimethyl-7,8-dihydroquinazoline.

Molecular Properties

Compound Name4-chloro-5,8-dimethyl-7,8-dihydroquinazoline
PubChem CID145143896
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name4-chloro-5,8-dimethyl-7,8-dihydroquinazoline
SMILESCC1=CCC(C)c2ncnc(Cl)c21
InChIInChI=1S/C10H11ClN2/c1-6-3-4-7(2)9-8(6)10(11)13-5-12-9/h3,5,7H,4H2,1-2H3
InChIKeyXNRGTZNIOUXNKA-UHFFFAOYSA-N
XLogP3.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5,8-dimethyl-7,8-dihydroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-6-phenylpyrimidine
CID 593429
6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido(4,3-d)pyrimidine
CID 25324046
4-Chloro-5,6,7,8-tetrahydroquinazoline
CID 12582969
4-Chloro-6-cyclohexylpyrimidine
CID 22308476
4-Chloro-6-cyclobutylpyrimidine
CID 47003367
4-Chloro-5-isopropyl-6-methylpyrimidine
CID 62915901
4-chloro-5H,6H,7H,8H,9H-cyclohepta[d]pyrimidine
CID 63350898
4-Chloro-6-(cyclopropylmethyl)pyrimidine
CID 121205640
4-Chloro-6-(p-tolyl)pyrimidine
CID 24902110
4-Chloro-6-methyl-5-phenylpyrimidine
CID 117869466
4-Benzyl-6-chloropyrimidine
CID 22599714
7,8-Dihydroquinazoline
CID 68306972

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,8-dimethyl-7,8-dihydroquinazoline?
The IUPAC name of 4-chloro-5,8-dimethyl-7,8-dihydroquinazoline (CID 145143896) is 4-chloro-5,8-dimethyl-7,8-dihydroquinazoline.
What is the SMILES notation for 4-chloro-5,8-dimethyl-7,8-dihydroquinazoline?
The canonical SMILES for 4-chloro-5,8-dimethyl-7,8-dihydroquinazoline is CC1=CCC(C)c2ncnc(Cl)c21.
What is the InChIKey of 4-chloro-5,8-dimethyl-7,8-dihydroquinazoline?
The InChIKey is XNRGTZNIOUXNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-6-3-4-7(2)9-8(6)10(11)13-5-12-9/h3,5,7H,4H2,1-2H3.
What are the key properties of 4-chloro-5,8-dimethyl-7,8-dihydroquinazoline?
4-chloro-5,8-dimethyl-7,8-dihydroquinazoline has a molecular weight of 194.66 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,8-dimethyl-7,8-dihydroquinazoline is sourced from PubChem (CID 145143896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).