3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride

C11H9ClN2O3S — CID 82372164

IUPAC3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride
SMILESO=c1c2cc(S(=O)(=O)Cl)ccc2ncn1C1CC1
InChIInChI=1S/C11H9ClN2O3S/c12-18(16,17)8-3-4-10-9(5-8)11(15)14(6-13-10)7-1-2-7/h3-7H,1-2H2
InChIKeyLXRMWALRRYMMSA-UHFFFAOYSA-N
MW284.72 g/mol
LogP1.66
Rot. Bonds2

About 3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride

3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride (PubChem CID 82372164) has the molecular formula C11H9ClN2O3S and a molecular weight of 284.72 g/mol. Its IUPAC name is 3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride.

Molecular Properties

Compound Name3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride
PubChem CID82372164
Molecular FormulaC11H9ClN2O3S
Molecular Weight284.72 g/mol
Exact Mass284.00
IUPAC Name3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride
SMILESO=c1c2cc(S(=O)(=O)Cl)ccc2ncn1C1CC1
InChIInChI=1S/C11H9ClN2O3S/c12-18(16,17)8-3-4-10-9(5-8)11(15)14(6-13-10)7-1-2-7/h3-7H,1-2H2
InChIKeyLXRMWALRRYMMSA-UHFFFAOYSA-N
XLogP1.66
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride?
The IUPAC name of 3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride (CID 82372164) is 3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride.
What is the SMILES notation for 3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride?
The canonical SMILES for 3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride is O=c1c2cc(S(=O)(=O)Cl)ccc2ncn1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride?
The InChIKey is LXRMWALRRYMMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3S/c12-18(16,17)8-3-4-10-9(5-8)11(15)14(6-13-10)7-1-2-7/h3-7H,1-2H2.
What are the key properties of 3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride?
3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride has a molecular weight of 284.72 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-oxoquinazoline-6-sulfonyl chloride is sourced from PubChem (CID 82372164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).