3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide

C16H17N3O3 — CID 138002600

IUPAC3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide
SMILESCC1(C(N)=O)CN(C(=O)Cn2ccc(=O)c3ccccc32)C1
InChIInChI=1S/C16H17N3O3/c1-16(15(17)22)9-19(10-16)14(21)8-18-7-6-13(20)11-4-2-3-5-12(11)18/h2-7H,8-10H2,1H3,(H2,17,22)
InChIKeyCBUCZXOKEQGALK-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.34
Rot. Bonds3

About 3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide

3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide (PubChem CID 138002600) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide
PubChem CID138002600
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide
SMILESCC1(C(N)=O)CN(C(=O)Cn2ccc(=O)c3ccccc32)C1
InChIInChI=1S/C16H17N3O3/c1-16(15(17)22)9-19(10-16)14(21)8-18-7-6-13(20)11-4-2-3-5-12(11)18/h2-7H,8-10H2,1H3,(H2,17,22)
InChIKeyCBUCZXOKEQGALK-UHFFFAOYSA-N
XLogP0.34
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Cyclopeptine
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1-Dodecylindoline-2,3-dione
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Dehydrocyclopeptine
CID 15649436
N-butyl-6-ethyl-4-oxo-1H-quinoline-3-carboxamide
CID 11673471
N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
CID 10858497
7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzodiazepine-6,12(5H,6aH)-dione
CID 3231443
Terbequinil
CID 65916
3,4-Dihydro-7-fluoro-4-methyl-1H-1,4-benzodiazepine-2,5-dione
CID 658990
1-Methyl-2-nonyl-4(1H)-quinolone
CID 13967189
(3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 1502067

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide?
The IUPAC name of 3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide (CID 138002600) is 3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide.
What is the SMILES notation for 3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide?
The canonical SMILES for 3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide is CC1(C(N)=O)CN(C(=O)Cn2ccc(=O)c3ccccc32)C1.
What is the InChIKey of 3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide?
The InChIKey is CBUCZXOKEQGALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-16(15(17)22)9-19(10-16)14(21)8-18-7-6-13(20)11-4-2-3-5-12(11)18/h2-7H,8-10H2,1H3,(H2,17,22).
What are the key properties of 3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide?
3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide is sourced from PubChem (CID 138002600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).