6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

C20H19ClN4O3S — CID 36980945

IUPAC6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
SMILESCC(C)Cn1c(S[C@H](C)c2nc(-c3ccco3)no2)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C20H19ClN4O3S/c1-11(2)10-25-19(26)14-9-13(21)6-7-15(14)22-20(25)29-12(3)18-23-17(24-28-18)16-5-4-8-27-16/h4-9,11-12H,10H2,1-3H3/t12-/m1/s1
InChIKeyJQPDVFFERJFNPU-GFCCVEGCSA-N
MW430.92 g/mol
LogP5.20
Rot. Bonds6

About 6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one (PubChem CID 36980945) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
PubChem CID36980945
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
SMILESCC(C)Cn1c(S[C@H](C)c2nc(-c3ccco3)no2)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C20H19ClN4O3S/c1-11(2)10-25-19(26)14-9-13(21)6-7-15(14)22-20(25)29-12(3)18-23-17(24-28-18)16-5-4-8-27-16/h4-9,11-12H,10H2,1-3H3/t12-/m1/s1
InChIKeyJQPDVFFERJFNPU-GFCCVEGCSA-N
XLogP5.20
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.92
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-bromo-3-(2-methylpropyl)-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 46567485
6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 112776292
6-bromo-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 46552384
4-amino-3-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-6-methyl-1,2,4-triazin-5-one
CID 43062139
7-chloro-3-(3-methylbutyl)-2-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 46567644
(2S)-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 40847488
6-bromo-3-(2-methoxyethyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 55445339
5-[1-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43062150
(2R)-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40930270
(2S)-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40930269
(2R)-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 40930268
5-[(1S)-1-(1-ethyltetrazol-5-yl)sulfanylethyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 36983533

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one?
The IUPAC name of 6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one (CID 36980945) is 6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one is CC(C)Cn1c(S[C@H](C)c2nc(-c3ccco3)no2)nc2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one?
The InChIKey is JQPDVFFERJFNPU-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-11(2)10-25-19(26)14-9-13(21)6-7-15(14)22-20(25)29-12(3)18-23-17(24-28-18)16-5-4-8-27-16/h4-9,11-12H,10H2,1-3H3/t12-/m1/s1.
What are the key properties of 6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one?
6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one has a molecular weight of 430.92 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one is sourced from PubChem (CID 36980945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).