7-chloro-3-prop-2-enyl-2H-quinazoline

C11H11ClN2 — CID 66895816

IUPAC7-chloro-3-prop-2-enyl-2H-quinazoline
SMILESC=CCN1C=c2ccc(Cl)cc2=NC1
InChIInChI=1S/C11H11ClN2/c1-2-5-14-7-9-3-4-10(12)6-11(9)13-8-14/h2-4,6-7H,1,5,8H2
InChIKeyQGTXCWDFWBIBOX-UHFFFAOYSA-N
MW206.68 g/mol
LogP1.16
Rot. Bonds2

About 7-chloro-3-prop-2-enyl-2H-quinazoline

7-chloro-3-prop-2-enyl-2H-quinazoline (PubChem CID 66895816) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 7-chloro-3-prop-2-enyl-2H-quinazoline.

Molecular Properties

Compound Name7-chloro-3-prop-2-enyl-2H-quinazoline
PubChem CID66895816
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name7-chloro-3-prop-2-enyl-2H-quinazoline
SMILESC=CCN1C=c2ccc(Cl)cc2=NC1
InChIInChI=1S/C11H11ClN2/c1-2-5-14-7-9-3-4-10(12)6-11(9)13-8-14/h2-4,6-7H,1,5,8H2
InChIKeyQGTXCWDFWBIBOX-UHFFFAOYSA-N
XLogP1.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-prop-2-enyl-2H-quinazoline?
The IUPAC name of 7-chloro-3-prop-2-enyl-2H-quinazoline (CID 66895816) is 7-chloro-3-prop-2-enyl-2H-quinazoline.
What is the SMILES notation for 7-chloro-3-prop-2-enyl-2H-quinazoline?
The canonical SMILES for 7-chloro-3-prop-2-enyl-2H-quinazoline is C=CCN1C=c2ccc(Cl)cc2=NC1.
What is the InChIKey of 7-chloro-3-prop-2-enyl-2H-quinazoline?
The InChIKey is QGTXCWDFWBIBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-2-5-14-7-9-3-4-10(12)6-11(9)13-8-14/h2-4,6-7H,1,5,8H2.
What are the key properties of 7-chloro-3-prop-2-enyl-2H-quinazoline?
7-chloro-3-prop-2-enyl-2H-quinazoline has a molecular weight of 206.68 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-prop-2-enyl-2H-quinazoline is sourced from PubChem (CID 66895816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).