(2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide

C20H26N4O3S — CID 8807529

IUPAC(2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide
SMILESCC[C@@H](C)n1c(SCC(=O)N2CCCC[C@@H]2C(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C20H26N4O3S/c1-3-13(2)24-19(27)14-8-4-5-9-15(14)22-20(24)28-12-17(25)23-11-7-6-10-16(23)18(21)26/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3,(H2,21,26)/t13-,16-/m1/s1
InChIKeyVUGMLYQAIWSHGM-CZUORRHYSA-N
MW402.52 g/mol
LogP2.33
Rot. Bonds6

About (2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide

(2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide (PubChem CID 8807529) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is (2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide
PubChem CID8807529
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name(2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide
SMILESCC[C@@H](C)n1c(SCC(=O)N2CCCC[C@@H]2C(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C20H26N4O3S/c1-3-13(2)24-19(27)14-8-4-5-9-15(14)22-20(24)28-12-17(25)23-11-7-6-10-16(23)18(21)26/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3,(H2,21,26)/t13-,16-/m1/s1
InChIKeyVUGMLYQAIWSHGM-CZUORRHYSA-N
XLogP2.33
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxamide
CID 8807532
2-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanyl-3-[(2S)-butan-2-yl]quinazolin-4-one
CID 11933611
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
CID 84840131
2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 2529335
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 4813828
3-[(2S)-butan-2-yl]-2-phenacylsulfanylquinazolin-4-one
CID 2624453
2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 2610925
2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-tert-butylacetamide
CID 2529333
1-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]piperidine-2-carboxamide
CID 43032851
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2624390
(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide
CID 40681888
ethyl N-[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate
CID 2635460

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide (CID 8807529) is (2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide is CC[C@@H](C)n1c(SCC(=O)N2CCCC[C@@H]2C(N)=O)nc2ccccc2c1=O.
What is the InChIKey of (2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide?
The InChIKey is VUGMLYQAIWSHGM-CZUORRHYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-3-13(2)24-19(27)14-8-4-5-9-15(14)22-20(24)28-12-17(25)23-11-7-6-10-16(23)18(21)26/h4-5,8-9,13,16H,3,6-7,10-12H2,1-2H3,(H2,21,26)/t13-,16-/m1/s1.
What are the key properties of (2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide?
(2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-2-carboxamide is sourced from PubChem (CID 8807529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).