2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide

C19H26ClN3O2S — CID 112777902

IUPAC2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCCCCn1c(SCC(=O)N(CC)CC)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H26ClN3O2S/c1-4-7-8-11-23-18(25)15-10-9-14(20)12-16(15)21-19(23)26-13-17(24)22(5-2)6-3/h9-10,12H,4-8,11,13H2,1-3H3
InChIKeyNTNIMAQCMSEHMB-UHFFFAOYSA-N
MW395.96 g/mol
LogP4.20
Rot. Bonds9

About 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide

2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide (PubChem CID 112777902) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
PubChem CID112777902
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC Name2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
SMILESCCCCCn1c(SCC(=O)N(CC)CC)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H26ClN3O2S/c1-4-7-8-11-23-18(25)15-10-9-14(20)12-16(15)21-19(23)26-13-17(24)22(5-2)6-3/h9-10,12H,4-8,11,13H2,1-3H3
InChIKeyNTNIMAQCMSEHMB-UHFFFAOYSA-N
XLogP4.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 54.20
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-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N,N-diethylacetamide
CID 55309371
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-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-pentylquinazolin-4-one
CID 84603704
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 7738199
2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 31458869
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
5-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylpentanenitrile
CID 112777897
2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-ethylacetamide
CID 55311914
2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 40948239

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide (CID 112777902) is 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide is CCCCCn1c(SCC(=O)N(CC)CC)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide?
The InChIKey is NTNIMAQCMSEHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2S/c1-4-7-8-11-23-18(25)15-10-9-14(20)12-16(15)21-19(23)26-13-17(24)22(5-2)6-3/h9-10,12H,4-8,11,13H2,1-3H3.
What are the key properties of 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide?
2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide has a molecular weight of 395.96 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 112777902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).