2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C18H23N5O3 — CID 137098586

IUPAC2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCC(C)N1CCNC(=O)[C@@H]1CC(=O)NCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H23N5O3/c1-11(2)23-8-7-19-18(26)14(23)9-16(24)20-10-15-21-13-6-4-3-5-12(13)17(25)22-15/h3-6,11,14H,7-10H2,1-2H3,(H,19,26)(H,20,24)(H,21,22,25)/t14-/m0/s1
InChIKeyJWCRPWVNDYXAPT-AWEZNQCLSA-N
MW357.41 g/mol
LogP0.14
Rot. Bonds5

About 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 137098586) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID137098586
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCC(C)N1CCNC(=O)[C@@H]1CC(=O)NCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H23N5O3/c1-11(2)23-8-7-19-18(26)14(23)9-16(24)20-10-15-21-13-6-4-3-5-12(13)17(25)22-15/h3-6,11,14H,7-10H2,1-2H3,(H,19,26)(H,20,24)(H,21,22,25)/t14-/m0/s1
InChIKeyJWCRPWVNDYXAPT-AWEZNQCLSA-N
XLogP0.14
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 95728846
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CID 42241907
N-[2-(2-methoxynaphthalen-1-yl)ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
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2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 90651920
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 25381744
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
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CID 135118006
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 124854636
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
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N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
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N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 125174351
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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 137098586) is 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is JWCRPWVNDYXAPT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11(2)23-8-7-19-18(26)14(23)9-16(24)20-10-15-21-13-6-4-3-5-12(13)17(25)22-15/h3-6,11,14H,7-10H2,1-2H3,(H,19,26)(H,20,24)(H,21,22,25)/t14-/m0/s1.
What are the key properties of 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 137098586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).