1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone

C19H19N3OS — CID 2608012

IUPAC1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone
SMILESCc1cc(C(=O)CSc2ncnc3ccccc23)c(C)n1C1CC1
InChIInChI=1S/C19H19N3OS/c1-12-9-16(13(2)22(12)14-7-8-14)18(23)10-24-19-15-5-3-4-6-17(15)20-11-21-19/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyXNURURSOMMZZKL-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.36
Rot. Bonds5

About 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone

1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone (PubChem CID 2608012) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone
PubChem CID2608012
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone
SMILESCc1cc(C(=O)CSc2ncnc3ccccc23)c(C)n1C1CC1
InChIInChI=1S/C19H19N3OS/c1-12-9-16(13(2)22(12)14-7-8-14)18(23)10-24-19-15-5-3-4-6-17(15)20-11-21-19/h3-6,9,11,14H,7-8,10H2,1-2H3
InChIKeyXNURURSOMMZZKL-UHFFFAOYSA-N
XLogP4.36
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone?
The IUPAC name of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone (CID 2608012) is 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone?
The canonical SMILES for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone is Cc1cc(C(=O)CSc2ncnc3ccccc23)c(C)n1C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone?
The InChIKey is XNURURSOMMZZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-12-9-16(13(2)22(12)14-7-8-14)18(23)10-24-19-15-5-3-4-6-17(15)20-11-21-19/h3-6,9,11,14H,7-8,10H2,1-2H3.
What are the key properties of 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone?
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone has a molecular weight of 337.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-quinazolin-4-ylsulfanylethanone is sourced from PubChem (CID 2608012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).