N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide

C16H16N4O3 — CID 71971031

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide
SMILESCCc1noc(CN(C)C(=O)c2c(O)cnc3ccccc23)n1
InChIInChI=1S/C16H16N4O3/c1-3-13-18-14(23-19-13)9-20(2)16(22)15-10-6-4-5-7-11(10)17-8-12(15)21/h4-8,21H,3,9H2,1-2H3
InChIKeyNMBWDULEPNTMHJ-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.16
Rot. Bonds4

About N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide (PubChem CID 71971031) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide
PubChem CID71971031
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide
SMILESCCc1noc(CN(C)C(=O)c2c(O)cnc3ccccc23)n1
InChIInChI=1S/C16H16N4O3/c1-3-13-18-14(23-19-13)9-20(2)16(22)15-10-6-4-5-7-11(10)17-8-12(15)21/h4-8,21H,3,9H2,1-2H3
InChIKeyNMBWDULEPNTMHJ-UHFFFAOYSA-N
XLogP2.16
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[5-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol
CID 135496164
7-(5-Benzyl-1,2,4-oxadiazol-3-yl)-1,6-naphthyridin-8-ol
CID 135519339
(S)-N-(2-(2-cyanopyrrolidine-1-yl)-2-oxoethyl)-3-hydroxyquinoline-4-carboxamide
CID 73347360
N-(4-fluorobenzyl)-8-hydroxy-5-(N-methyl-2-oxo-2-(pyrrolidin-1-yl)acetamido)-1,6-naphthyridine-7-carboxamide
CID 15958281
7-(5-Phenyl-1,2,4-oxadiazol-3-yl)-1,6-naphthyridin-8-ol
CID 135869504
2-[3-(1-Isoquinolyl)-1,2,4-oxadiazol-5-yl]-4-methyl-phenol
CID 135429371
2-(3-Isoquinolin-1-yl-[1,2,4]oxadiazol-5-yl)-4-nitro-phenol
CID 135429372
4-Fluoro-2-(3-isoquinolin-1-yl-[1,2,4]oxadiazol-5-yl)-phenol
CID 135429375
5-Dimethylamino-2-(3-isoquinolin-1-yl-[1,2,4]oxadiazol-5-yl)-phenol
CID 135429376
2-[3-(1-Isoquinolyl)-1,2,4-oxadiazol-5-yl]phenol
CID 135429379
2-[3-[(2,4-Difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136260342
3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 163661743

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide (CID 71971031) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide is CCc1noc(CN(C)C(=O)c2c(O)cnc3ccccc23)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide?
The InChIKey is NMBWDULEPNTMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-3-13-18-14(23-19-13)9-20(2)16(22)15-10-6-4-5-7-11(10)17-8-12(15)21/h4-8,21H,3,9H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxy-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 71971031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).