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

C20H24N4O2S — CID 92694440

IUPAC(2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)CSC2=Nc3ccccc3C3=N[C@@H](C)C(=O)N23)C1
InChIInChI=1S/C20H24N4O2S/c1-12-8-13(2)10-23(9-12)17(25)11-27-20-22-16-7-5-4-6-15(16)18-21-14(3)19(26)24(18)20/h4-7,12-14H,8-11H2,1-3H3/t12-,13-,14+/m1/s1
InChIKeyQYQFBSMGUHFVNR-MCIONIFRSA-N
MW384.51 g/mol
LogP2.90
Rot. Bonds2

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

(2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 92694440) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is (2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name(2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID92694440
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name(2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)CSC2=Nc3ccccc3C3=N[C@@H](C)C(=O)N23)C1
InChIInChI=1S/C20H24N4O2S/c1-12-8-13(2)10-23(9-12)17(25)11-27-20-22-16-7-5-4-6-15(16)18-21-14(3)19(26)24(18)20/h4-7,12-14H,8-11H2,1-3H3/t12-,13-,14+/m1/s1
InChIKeyQYQFBSMGUHFVNR-MCIONIFRSA-N
XLogP2.90
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of (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) is (2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for (2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for (2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one is C[C@@H]1C[C@@H](C)CN(C(=O)CSC2=Nc3ccccc3C3=N[C@@H](C)C(=O)N23)C1.
What is the InChIKey of (2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is QYQFBSMGUHFVNR-MCIONIFRSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-12-8-13(2)10-23(9-12)17(25)11-27-20-22-16-7-5-4-6-15(16)18-21-14(3)19(26)24(18)20/h4-7,12-14H,8-11H2,1-3H3/t12-,13-,14+/m1/s1.
What are the key properties of (2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one?
(2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 384.51 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2-methyl-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 92694440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).