2-chloro-3,8-dimethyl-2H-quinazoline

C10H11ClN2 — CID 151428254

IUPAC2-chloro-3,8-dimethyl-2H-quinazoline
SMILESCc1cccc2c1=NC(Cl)N(C)C=2
InChIInChI=1S/C10H11ClN2/c1-7-4-3-5-8-6-13(2)10(11)12-9(7)8/h3-6,10H,1-2H3
InChIKeyPBYZQKQGSKOKFV-UHFFFAOYSA-N
MW194.66 g/mol
LogP0.82
Rot. Bonds

About 2-chloro-3,8-dimethyl-2H-quinazoline

2-chloro-3,8-dimethyl-2H-quinazoline (PubChem CID 151428254) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-chloro-3,8-dimethyl-2H-quinazoline.

Molecular Properties

Compound Name2-chloro-3,8-dimethyl-2H-quinazoline
PubChem CID151428254
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-chloro-3,8-dimethyl-2H-quinazoline
SMILESCc1cccc2c1=NC(Cl)N(C)C=2
InChIInChI=1S/C10H11ClN2/c1-7-4-3-5-8-6-13(2)10(11)12-9(7)8/h3-6,10H,1-2H3
InChIKeyPBYZQKQGSKOKFV-UHFFFAOYSA-N
XLogP0.82
TPSA15.60 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 ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,8-dimethyl-2H-quinazoline?
The IUPAC name of 2-chloro-3,8-dimethyl-2H-quinazoline (CID 151428254) is 2-chloro-3,8-dimethyl-2H-quinazoline.
What is the SMILES notation for 2-chloro-3,8-dimethyl-2H-quinazoline?
The canonical SMILES for 2-chloro-3,8-dimethyl-2H-quinazoline is Cc1cccc2c1=NC(Cl)N(C)C=2.
What is the InChIKey of 2-chloro-3,8-dimethyl-2H-quinazoline?
The InChIKey is PBYZQKQGSKOKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-7-4-3-5-8-6-13(2)10(11)12-9(7)8/h3-6,10H,1-2H3.
What are the key properties of 2-chloro-3,8-dimethyl-2H-quinazoline?
2-chloro-3,8-dimethyl-2H-quinazoline has a molecular weight of 194.66 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,8-dimethyl-2H-quinazoline is sourced from PubChem (CID 151428254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).