7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one

C19H15ClF2N2O2S — CID 2488319

IUPAC7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(SCC(=O)c2ccc(F)c(F)c2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H15ClF2N2O2S/c1-2-7-24-18(26)13-5-4-12(20)9-16(13)23-19(24)27-10-17(25)11-3-6-14(21)15(22)8-11/h3-6,8-9H,2,7,10H2,1H3
InChIKeyXDASWUVCAQBERE-UHFFFAOYSA-N
MW408.86 g/mol
LogP4.71
Rot. Bonds6

About 7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one

7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one (PubChem CID 2488319) has the molecular formula C19H15ClF2N2O2S and a molecular weight of 408.86 g/mol. Its IUPAC name is 7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
PubChem CID2488319
Molecular FormulaC19H15ClF2N2O2S
Molecular Weight408.86 g/mol
Exact Mass408.05
IUPAC Name7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one
SMILESCCCn1c(SCC(=O)c2ccc(F)c(F)c2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C19H15ClF2N2O2S/c1-2-7-24-18(26)13-5-4-12(20)9-16(13)23-19(24)27-10-17(25)11-3-6-14(21)15(22)8-11/h3-6,8-9H,2,7,10H2,1H3
InChIKeyXDASWUVCAQBERE-UHFFFAOYSA-N
XLogP4.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one with MolForge

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Related Compounds

2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488402
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
4-[[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]benzamide
CID 2488439
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
2-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174443
N-[2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide
CID 16571538
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 7738199
7-chloro-2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one
CID 2611191
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 7359666
7-chloro-2-methylsulfanyl-3-pentylquinazolin-4-one
CID 112777915
N-(2-acetylphenyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488352
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[2-(difluoromethylsulfanyl)phenyl]acetamide
CID 24593532

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one?
The IUPAC name of 7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one (CID 2488319) is 7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one?
The canonical SMILES for 7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one is CCCn1c(SCC(=O)c2ccc(F)c(F)c2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one?
The InChIKey is XDASWUVCAQBERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O2S/c1-2-7-24-18(26)13-5-4-12(20)9-16(13)23-19(24)27-10-17(25)11-3-6-14(21)15(22)8-11/h3-6,8-9H,2,7,10H2,1H3.
What are the key properties of 7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one?
7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one has a molecular weight of 408.86 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one is sourced from PubChem (CID 2488319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).