N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

C23H26N4O5S — CID 135802886

IUPACN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H26N4O5S/c1-32-20-10-9-16(33(30,31)27-13-5-2-6-14-27)15-19(20)25-22(28)12-11-21-24-18-8-4-3-7-17(18)23(29)26-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,25,28)(H,24,26,29)
InChIKeyFMHFXIYMVGKMOL-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.68
Rot. Bonds7

About N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (PubChem CID 135802886) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
PubChem CID135802886
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC NameN-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C23H26N4O5S/c1-32-20-10-9-16(33(30,31)27-13-5-2-6-14-27)15-19(20)25-22(28)12-11-21-24-18-8-4-3-7-17(18)23(29)26-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,25,28)(H,24,26,29)
InChIKeyFMHFXIYMVGKMOL-UHFFFAOYSA-N
XLogP2.68
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 11559627
N-[4-methoxy-3-(piperidine-1-sulfonyl)phenyl]-3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanamide
CID 135531972
[2-[5-(Dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 4844513
N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 1124158
N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]benzamide
CID 2987928
3-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799976
N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-2-methylbenzamide
CID 6461849
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 16285401
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 16959342
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(4-oxo-3-phenylquinazolin-2-yl)methyl]butanamide
CID 44452170
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(4-oxo-3-phenylquinazolin-2-yl)methyl]propanamide
CID 44452224
N-[[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]methyl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
CID 44452274

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The IUPAC name of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide (CID 135802886) is N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide.
What is the SMILES notation for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The canonical SMILES for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
The InChIKey is FMHFXIYMVGKMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-32-20-10-9-16(33(30,31)27-13-5-2-6-14-27)15-19(20)25-22(28)12-11-21-24-18-8-4-3-7-17(18)23(29)26-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,25,28)(H,24,26,29).
What are the key properties of N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide?
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide has a molecular weight of 470.55 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide is sourced from PubChem (CID 135802886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).