1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide

C24H26N4O3S — CID 55525766

IUPAC1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide
SMILESCC(Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C24H26N4O3S/c1-16(22(30)27-13-11-18(12-14-27)21(25)29)32-24-26-20-10-6-5-9-19(20)23(31)28(24)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H2,25,29)
InChIKeyUCAMTPZYVADOMU-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.65
Rot. Bonds6

About 1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide

1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide (PubChem CID 55525766) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide
PubChem CID55525766
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide
SMILESCC(Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C24H26N4O3S/c1-16(22(30)27-13-11-18(12-14-27)21(25)29)32-24-26-20-10-6-5-9-19(20)23(31)28(24)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H2,25,29)
InChIKeyUCAMTPZYVADOMU-UHFFFAOYSA-N
XLogP2.65
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-2-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 41124112
1-[2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]piperidine-4-carboxamide
CID 55525299
ethyl 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 2946564
ethyl (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 1414598
3-benzyl-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
CID 5131440
1-[2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide
CID 55526386
methyl 3-[4-oxo-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylquinazolin-3-yl]propanoate
CID 7644757
3-benzyl-2-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 40820266
(2R)-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2618889
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclohexylcarbamoyl)propanamide
CID 3442015
methyl 2-[2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 9309890
1-[2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxamide
CID 55524330

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide (CID 55525766) is 1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide is CC(Sc1nc2ccccc2c(=O)n1Cc1ccccc1)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide?
The InChIKey is UCAMTPZYVADOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-16(22(30)27-13-11-18(12-14-27)21(25)29)32-24-26-20-10-6-5-9-19(20)23(31)28(24)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H2,25,29).
What are the key properties of 1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide?
1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55525766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).