2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone

C17H21N3OS — CID 648420

IUPAC2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCCCc1nc(SCC(=O)N2CCCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3OS/c1-2-7-15-18-14-9-4-3-8-13(14)17(19-15)22-12-16(21)20-10-5-6-11-20/h3-4,8-9H,2,5-7,10-12H2,1H3
InChIKeyJNFHBRYMDHBLQB-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.30
Rot. Bonds5

About 2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone

2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 648420) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID648420
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESCCCc1nc(SCC(=O)N2CCCC2)c2ccccc2n1
InChIInChI=1S/C17H21N3OS/c1-2-7-15-18-14-9-4-3-8-13(14)17(19-15)22-12-16(21)20-10-5-6-11-20/h3-4,8-9H,2,5-7,10-12H2,1H3
InChIKeyJNFHBRYMDHBLQB-UHFFFAOYSA-N
XLogP3.30
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 648420) is 2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone is CCCc1nc(SCC(=O)N2CCCC2)c2ccccc2n1.
What is the InChIKey of 2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is JNFHBRYMDHBLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-7-15-18-14-9-4-3-8-13(14)17(19-15)22-12-16(21)20-10-5-6-11-20/h3-4,8-9H,2,5-7,10-12H2,1H3.
What are the key properties of 2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 315.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylquinazolin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 648420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).