N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide

C20H16N4O3 — CID 166380609

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide
SMILESCc1noc(C(NC(=O)c2cccc3[nH]c(=O)ccc23)c2ccccc2)n1
InChIInChI=1S/C20H16N4O3/c1-12-21-20(27-24-12)18(13-6-3-2-4-7-13)23-19(26)15-8-5-9-16-14(15)10-11-17(25)22-16/h2-11,18H,1H3,(H,22,25)(H,23,26)
InChIKeyUDCRZYVIIGQHHZ-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.74
Rot. Bonds4

About N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide

N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide (PubChem CID 166380609) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide
PubChem CID166380609
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide
SMILESCc1noc(C(NC(=O)c2cccc3[nH]c(=O)ccc23)c2ccccc2)n1
InChIInChI=1S/C20H16N4O3/c1-12-21-20(27-24-12)18(13-6-3-2-4-7-13)23-19(26)15-8-5-9-16-14(15)10-11-17(25)22-16/h2-11,18H,1H3,(H,22,25)(H,23,26)
InChIKeyUDCRZYVIIGQHHZ-UHFFFAOYSA-N
XLogP2.74
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide (CID 166380609) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide is Cc1noc(C(NC(=O)c2cccc3[nH]c(=O)ccc23)c2ccccc2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide?
The InChIKey is UDCRZYVIIGQHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-12-21-20(27-24-12)18(13-6-3-2-4-7-13)23-19(26)15-8-5-9-16-14(15)10-11-17(25)22-16/h2-11,18H,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-2-oxo-1H-quinoline-5-carboxamide is sourced from PubChem (CID 166380609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).