2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide

C21H22ClN3O2S — CID 7738199

IUPAC2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
SMILESCCCn1c(SCC(=O)N(CC)c2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C21H22ClN3O2S/c1-3-12-25-20(27)17-11-10-15(22)13-18(17)23-21(25)28-14-19(26)24(4-2)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3
InChIKeyVFBGDWNVAPJWNF-UHFFFAOYSA-N
MW415.95 g/mol
LogP4.61
Rot. Bonds7

About 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide

2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide (PubChem CID 7738199) has the molecular formula C21H22ClN3O2S and a molecular weight of 415.95 g/mol. Its IUPAC name is 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
PubChem CID7738199
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.95 g/mol
Exact Mass415.11
IUPAC Name2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
SMILESCCCn1c(SCC(=O)N(CC)c2ccccc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C21H22ClN3O2S/c1-3-12-25-20(27)17-11-10-15(22)13-18(17)23-21(25)28-14-19(26)24(4-2)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3
InChIKeyVFBGDWNVAPJWNF-UHFFFAOYSA-N
XLogP4.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 40948239
N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16571538
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 112777902
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
CID 9458202
N-(2-acetylphenyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488352
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
CID 2488319
methyl 2-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 2488443
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 7359666
2-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174443

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide (CID 7738199) is 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide is CCCn1c(SCC(=O)N(CC)c2ccccc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide?
The InChIKey is VFBGDWNVAPJWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2S/c1-3-12-25-20(27)17-11-10-15(22)13-18(17)23-21(25)28-14-19(26)24(4-2)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3.
What are the key properties of 2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide?
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide has a molecular weight of 415.95 g/mol, XLogP of 4.61, 7 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-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 7738199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).