2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide

C17H17N3O3 — CID 126432024

IUPAC2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide
SMILESCOc1cc(C(=O)N(C)[C@@H](C)c2ccon2)c2ccccc2n1
InChIInChI=1S/C17H17N3O3/c1-11(14-8-9-23-19-14)20(2)17(21)13-10-16(22-3)18-15-7-5-4-6-12(13)15/h4-11H,1-3H3/t11-/m0/s1
InChIKeyJHGQZTKMXDXPHQ-NSHDSACASA-N
MW311.34 g/mol
LogP3.06
Rot. Bonds4

About 2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide

2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide (PubChem CID 126432024) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide
PubChem CID126432024
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide
SMILESCOc1cc(C(=O)N(C)[C@@H](C)c2ccon2)c2ccccc2n1
InChIInChI=1S/C17H17N3O3/c1-11(14-8-9-23-19-14)20(2)17(21)13-10-16(22-3)18-15-7-5-4-6-12(13)15/h4-11H,1-3H3/t11-/m0/s1
InChIKeyJHGQZTKMXDXPHQ-NSHDSACASA-N
XLogP3.06
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97122025
2-[(4-methoxyphenyl)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24790227
N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide
CID 135294171
2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide
CID 62154754
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 95136559
2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide
CID 99952062
2-amino-N-(3,3-dimethylbutan-2-yl)-N-methylquinoline-4-carboxamide
CID 62160861
2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104551638
3-[(2-methoxyquinolin-4-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122003996
[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 56887327
1-[(1R)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565858
1-[(1S)-1-cyclopropylethyl]-3-[(2-methoxyquinolin-4-yl)methyl]-1-methylurea
CID 96565857

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide (CID 126432024) is 2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide is COc1cc(C(=O)N(C)[C@@H](C)c2ccon2)c2ccccc2n1.
What is the InChIKey of 2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is JHGQZTKMXDXPHQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11(14-8-9-23-19-14)20(2)17(21)13-10-16(22-3)18-15-7-5-4-6-12(13)15/h4-11H,1-3H3/t11-/m0/s1.
What are the key properties of 2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide?
2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 126432024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).