N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide

C19H30N4O2S — CID 45224808

IUPACN-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21
InChIInChI=1S/C19H30N4O2S/c1-19(2)10-15(21-17(25)6-9-26-3)14-12-20-18(22-16(14)11-19)23-7-4-13(24)5-8-23/h12-13,15,24H,4-11H2,1-3H3,(H,21,25)
InChIKeyNUYHTAMCGARTFP-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide

N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide (PubChem CID 45224808) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide
PubChem CID45224808
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21
InChIInChI=1S/C19H30N4O2S/c1-19(2)10-15(21-17(25)6-9-26-3)14-12-20-18(22-16(14)11-19)23-7-4-13(24)5-8-23/h12-13,15,24H,4-11H2,1-3H3,(H,21,25)
InChIKeyNUYHTAMCGARTFP-UHFFFAOYSA-N
XLogP2.32
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide (CID 45224808) is N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide is CSCCC(=O)NC1CC(C)(C)Cc2nc(N3CCC(O)CC3)ncc21.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide?
The InChIKey is NUYHTAMCGARTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-19(2)10-15(21-17(25)6-9-26-3)14-12-20-18(22-16(14)11-19)23-7-4-13(24)5-8-23/h12-13,15,24H,4-11H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide?
N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide has a molecular weight of 378.54 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 45224808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).