4-chloro-6,6-dimethyl-5H-quinazoline

C10H11ClN2 — CID 86647861

IUPAC4-chloro-6,6-dimethyl-5H-quinazoline
SMILESCC1(C)C=Cc2ncnc(Cl)c2C1
InChIInChI=1S/C10H11ClN2/c1-10(2)4-3-8-7(5-10)9(11)13-6-12-8/h3-4,6H,5H2,1-2H3
InChIKeyZGOIZQKYAZNVFI-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.73
Rot. Bonds

About 4-chloro-6,6-dimethyl-5H-quinazoline

4-chloro-6,6-dimethyl-5H-quinazoline (PubChem CID 86647861) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 4-chloro-6,6-dimethyl-5H-quinazoline.

Molecular Properties

Compound Name4-chloro-6,6-dimethyl-5H-quinazoline
PubChem CID86647861
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name4-chloro-6,6-dimethyl-5H-quinazoline
SMILESCC1(C)C=Cc2ncnc(Cl)c2C1
InChIInChI=1S/C10H11ClN2/c1-10(2)4-3-8-7(5-10)9(11)13-6-12-8/h3-4,6H,5H2,1-2H3
InChIKeyZGOIZQKYAZNVFI-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-6,6-dimethyl-5H-quinazoline?
The IUPAC name of 4-chloro-6,6-dimethyl-5H-quinazoline (CID 86647861) is 4-chloro-6,6-dimethyl-5H-quinazoline.
What is the SMILES notation for 4-chloro-6,6-dimethyl-5H-quinazoline?
The canonical SMILES for 4-chloro-6,6-dimethyl-5H-quinazoline is CC1(C)C=Cc2ncnc(Cl)c2C1.
What is the InChIKey of 4-chloro-6,6-dimethyl-5H-quinazoline?
The InChIKey is ZGOIZQKYAZNVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-10(2)4-3-8-7(5-10)9(11)13-6-12-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-chloro-6,6-dimethyl-5H-quinazoline?
4-chloro-6,6-dimethyl-5H-quinazoline 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-6,6-dimethyl-5H-quinazoline is sourced from PubChem (CID 86647861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).