4-chloro-6,7-dimethyl-5,6-dihydroquinazoline

C10H11ClN2 — CID 90006241

IUPAC4-chloro-6,7-dimethyl-5,6-dihydroquinazoline
SMILESCC1=Cc2ncnc(Cl)c2CC1C
InChIInChI=1S/C10H11ClN2/c1-6-3-8-9(4-7(6)2)12-5-13-10(8)11/h4-6H,3H2,1-2H3
InChIKeyWABBLLFQPRDECZ-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.73
Rot. Bonds

About 4-chloro-6,7-dimethyl-5,6-dihydroquinazoline

4-chloro-6,7-dimethyl-5,6-dihydroquinazoline (PubChem CID 90006241) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 4-chloro-6,7-dimethyl-5,6-dihydroquinazoline.

Molecular Properties

Compound Name4-chloro-6,7-dimethyl-5,6-dihydroquinazoline
PubChem CID90006241
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name4-chloro-6,7-dimethyl-5,6-dihydroquinazoline
SMILESCC1=Cc2ncnc(Cl)c2CC1C
InChIInChI=1S/C10H11ClN2/c1-6-3-8-9(4-7(6)2)12-5-13-10(8)11/h4-6H,3H2,1-2H3
InChIKeyWABBLLFQPRDECZ-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dimethyl-5,6-dihydroquinazoline?
The IUPAC name of 4-chloro-6,7-dimethyl-5,6-dihydroquinazoline (CID 90006241) is 4-chloro-6,7-dimethyl-5,6-dihydroquinazoline.
What is the SMILES notation for 4-chloro-6,7-dimethyl-5,6-dihydroquinazoline?
The canonical SMILES for 4-chloro-6,7-dimethyl-5,6-dihydroquinazoline is CC1=Cc2ncnc(Cl)c2CC1C.
What is the InChIKey of 4-chloro-6,7-dimethyl-5,6-dihydroquinazoline?
The InChIKey is WABBLLFQPRDECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-6-3-8-9(4-7(6)2)12-5-13-10(8)11/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-6,7-dimethyl-5,6-dihydroquinazoline?
4-chloro-6,7-dimethyl-5,6-dihydroquinazoline has a molecular weight of 194.66 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dimethyl-5,6-dihydroquinazoline is sourced from PubChem (CID 90006241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).