3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide

C22H20N4O3 — CID 110408526

IUPAC3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCc1ccc2cc(CCC(=O)NCc3nnc(-c4ccccc4)o3)c(=O)[nH]c2c1
InChIInChI=1S/C22H20N4O3/c1-14-7-8-16-12-17(21(28)24-18(16)11-14)9-10-19(27)23-13-20-25-26-22(29-20)15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyDWJPGYRDWDPNPG-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.14
Rot. Bonds6

About 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide

3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (PubChem CID 110408526) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
PubChem CID110408526
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
SMILESCc1ccc2cc(CCC(=O)NCc3nnc(-c4ccccc4)o3)c(=O)[nH]c2c1
InChIInChI=1S/C22H20N4O3/c1-14-7-8-16-12-17(21(28)24-18(16)11-14)9-10-19(27)23-13-20-25-26-22(29-20)15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,23,27)(H,24,28)
InChIKeyDWJPGYRDWDPNPG-UHFFFAOYSA-N
XLogP3.14
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
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3-(1H-benzimidazol-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
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3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
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N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
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3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
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3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
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N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
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3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
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6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide (CID 110408526) is 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is Cc1ccc2cc(CCC(=O)NCc3nnc(-c4ccccc4)o3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
The InChIKey is DWJPGYRDWDPNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-7-8-16-12-17(21(28)24-18(16)11-14)9-10-19(27)23-13-20-25-26-22(29-20)15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,23,27)(H,24,28).
What are the key properties of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide?
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide has a molecular weight of 388.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 110408526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).