3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide

C26H30N4O4S — CID 55382643

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)n1C1CC1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H30N4O4S/c31-25(15-14-24-28-23-7-3-2-6-22(23)26(32)30(24)20-10-11-20)27-18-19-8-12-21(13-9-19)35(33,34)29-16-4-1-5-17-29/h2-3,6-9,12-13,20H,1,4-5,10-11,14-18H2,(H,27,31)
InChIKeyWLTBTYUIUGXWIN-UHFFFAOYSA-N
MW494.62 g/mol
LogP3.15
Rot. Bonds8

About 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide (PubChem CID 55382643) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
PubChem CID55382643
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
SMILESO=C(CCc1nc2ccccc2c(=O)n1C1CC1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C26H30N4O4S/c31-25(15-14-24-28-23-7-3-2-6-22(23)26(32)30(24)20-10-11-20)27-18-19-8-12-21(13-9-19)35(33,34)29-16-4-1-5-17-29/h2-3,6-9,12-13,20H,1,4-5,10-11,14-18H2,(H,27,31)
InChIKeyWLTBTYUIUGXWIN-UHFFFAOYSA-N
XLogP3.15
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55466640
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 55433139
N-[(4-fluorophenyl)methyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 4881682
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
3-(2-fluorophenyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55737007
3-cyclopropyl-2-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 55360286
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 55360025
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-(9H-xanthen-9-yl)propanamide
CID 56547700
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
3-(phenylcarbamoylamino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55737130

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide (CID 55382643) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide is O=C(CCc1nc2ccccc2c(=O)n1C1CC1)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide?
The InChIKey is WLTBTYUIUGXWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c31-25(15-14-24-28-23-7-3-2-6-22(23)26(32)30(24)20-10-11-20)27-18-19-8-12-21(13-9-19)35(33,34)29-16-4-1-5-17-29/h2-3,6-9,12-13,20H,1,4-5,10-11,14-18H2,(H,27,31).
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide has a molecular weight of 494.62 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 55382643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).