2-(chloromethyl)-3-methyl-2H-quinazoline

C10H11ClN2 — CID 175724709

IUPAC2-(chloromethyl)-3-methyl-2H-quinazoline
SMILESCN1C=c2ccccc2=NC1CCl
InChIInChI=1S/C10H11ClN2/c1-13-7-8-4-2-3-5-9(8)12-10(13)6-11/h2-5,7,10H,6H2,1H3
InChIKeyHCMOPFXPZUIVDY-UHFFFAOYSA-N
MW194.66 g/mol
LogP0.55
Rot. Bonds1

About 2-(chloromethyl)-3-methyl-2H-quinazoline

2-(chloromethyl)-3-methyl-2H-quinazoline (PubChem CID 175724709) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(chloromethyl)-3-methyl-2H-quinazoline.

Molecular Properties

Compound Name2-(chloromethyl)-3-methyl-2H-quinazoline
PubChem CID175724709
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-(chloromethyl)-3-methyl-2H-quinazoline
SMILESCN1C=c2ccccc2=NC1CCl
InChIInChI=1S/C10H11ClN2/c1-13-7-8-4-2-3-5-9(8)12-10(13)6-11/h2-5,7,10H,6H2,1H3
InChIKeyHCMOPFXPZUIVDY-UHFFFAOYSA-N
XLogP0.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-methyl-2H-quinazoline?
The IUPAC name of 2-(chloromethyl)-3-methyl-2H-quinazoline (CID 175724709) is 2-(chloromethyl)-3-methyl-2H-quinazoline.
What is the SMILES notation for 2-(chloromethyl)-3-methyl-2H-quinazoline?
The canonical SMILES for 2-(chloromethyl)-3-methyl-2H-quinazoline is CN1C=c2ccccc2=NC1CCl.
What is the InChIKey of 2-(chloromethyl)-3-methyl-2H-quinazoline?
The InChIKey is HCMOPFXPZUIVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-13-7-8-4-2-3-5-9(8)12-10(13)6-11/h2-5,7,10H,6H2,1H3.
What are the key properties of 2-(chloromethyl)-3-methyl-2H-quinazoline?
2-(chloromethyl)-3-methyl-2H-quinazoline has a molecular weight of 194.66 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-methyl-2H-quinazoline is sourced from PubChem (CID 175724709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).