7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one

C19H24ClN3O2S — CID 84603704

IUPAC7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one
SMILESCCCCCn1c(SCC(=O)N2CCCC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H24ClN3O2S/c1-2-3-4-11-23-18(25)15-8-7-14(20)12-16(15)21-19(23)26-13-17(24)22-9-5-6-10-22/h7-8,12H,2-6,9-11,13H2,1H3
InChIKeyHXCHAMJNDUQINB-UHFFFAOYSA-N
MW393.94 g/mol
LogP3.95
Rot. Bonds7

About 7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one

7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one (PubChem CID 84603704) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one
PubChem CID84603704
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one
SMILESCCCCCn1c(SCC(=O)N2CCCC2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H24ClN3O2S/c1-2-3-4-11-23-18(25)15-8-7-14(20)12-16(15)21-19(23)26-13-17(24)22-9-5-6-10-22/h7-8,12H,2-6,9-11,13H2,1H3
InChIKeyHXCHAMJNDUQINB-UHFFFAOYSA-N
XLogP3.95
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 112777902
N-tert-butyl-2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetamide
CID 7797003
7-chloro-2-methylsulfanyl-3-pentylquinazolin-4-one
CID 112777915
7-chloro-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
CID 7738120
7-chloro-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
CID 16510395
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
CID 46925066
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-propylquinazolin-4-one
CID 46925071
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
6-chloro-3-(2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one
CID 7355928
5-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylpentanenitrile
CID 112777897

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one?
The IUPAC name of 7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one (CID 84603704) is 7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one?
The canonical SMILES for 7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one is CCCCCn1c(SCC(=O)N2CCCC2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one?
The InChIKey is HXCHAMJNDUQINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-2-3-4-11-23-18(25)15-8-7-14(20)12-16(15)21-19(23)26-13-17(24)22-9-5-6-10-22/h7-8,12H,2-6,9-11,13H2,1H3.
What are the key properties of 7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one?
7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one has a molecular weight of 393.94 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one is sourced from PubChem (CID 84603704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).