2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one

C23H30N4O2S — CID 3461035

IUPAC2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCCC(C)C1N=C2c3ccccc3N=C(SCC(=O)N3CC(C)CC(C)C3)N2C1=O
InChIInChI=1S/C23H30N4O2S/c1-5-16(4)20-22(29)27-21(25-20)17-8-6-7-9-18(17)24-23(27)30-13-19(28)26-11-14(2)10-15(3)12-26/h6-9,14-16,20H,5,10-13H2,1-4H3
InChIKeyHSJZPQWHEUGUNT-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.93
Rot. Bonds4

About 2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one

2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 3461035) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID3461035
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCCC(C)C1N=C2c3ccccc3N=C(SCC(=O)N3CC(C)CC(C)C3)N2C1=O
InChIInChI=1S/C23H30N4O2S/c1-5-16(4)20-22(29)27-21(25-20)17-8-6-7-9-18(17)24-23(27)30-13-19(28)26-11-14(2)10-15(3)12-26/h6-9,14-16,20H,5,10-13H2,1-4H3
InChIKeyHSJZPQWHEUGUNT-UHFFFAOYSA-N
XLogP3.93
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92694440
2-benzyl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 5190912
(2S)-2-benzyl-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92694429
2-[(2-butan-2-yl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4305714
(2S)-2-[[(2R)-2-[(2S)-butan-2-yl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(3,5-dimethoxyphenyl)propanamide
CID 92750999
(2S)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-2-(2-methylpropyl)-2H-imidazo[1,2-c]quinazolin-3-one
CID 92725913
(2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92750828
N-(3,4-dimethoxyphenyl)-2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 20965549
(2R)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-phenylethyl)butanamide
CID 92726048
(2R)-N-(3-methylphenyl)-2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]propanamide
CID 92750847
2-benzyl-5-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 4104478
(2S)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-phenylpropanamide
CID 92750956

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of 2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one (CID 3461035) is 2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for 2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for 2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one is CCC(C)C1N=C2c3ccccc3N=C(SCC(=O)N3CC(C)CC(C)C3)N2C1=O.
What is the InChIKey of 2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is HSJZPQWHEUGUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-5-16(4)20-22(29)27-21(25-20)17-8-6-7-9-18(17)24-23(27)30-13-19(28)26-11-14(2)10-15(3)12-26/h6-9,14-16,20H,5,10-13H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 426.59 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 3461035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).