7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid

C20H23N3O5 — CID 90222565

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid
SMILESCOC[C@@H](C)Nc1c(C(=O)O)cnc2cc(-c3c(C)noc3C)c(OC)cc12
InChIInChI=1S/C20H23N3O5/c1-10(9-26-4)22-19-13-7-17(27-5)14(18-11(2)23-28-12(18)3)6-16(13)21-8-15(19)20(24)25/h6-8,10H,9H2,1-5H3,(H,21,22)(H,24,25)/t10-/m1/s1
InChIKeyBCANITOROQHOGM-SNVBAGLBSA-N
MW385.42 g/mol
LogP3.66
Rot. Bonds7

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid

7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid (PubChem CID 90222565) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid
PubChem CID90222565
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid
SMILESCOC[C@@H](C)Nc1c(C(=O)O)cnc2cc(-c3c(C)noc3C)c(OC)cc12
InChIInChI=1S/C20H23N3O5/c1-10(9-26-4)22-19-13-7-17(27-5)14(18-11(2)23-28-12(18)3)6-16(13)21-8-15(19)20(24)25/h6-8,10H,9H2,1-5H3,(H,21,22)(H,24,25)/t10-/m1/s1
InChIKeyBCANITOROQHOGM-SNVBAGLBSA-N
XLogP3.66
TPSA106.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid (CID 90222565) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid is COC[C@@H](C)Nc1c(C(=O)O)cnc2cc(-c3c(C)noc3C)c(OC)cc12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid?
The InChIKey is BCANITOROQHOGM-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-10(9-26-4)22-19-13-7-17(27-5)14(18-11(2)23-28-12(18)3)6-16(13)21-8-15(19)20(24)25/h6-8,10H,9H2,1-5H3,(H,21,22)(H,24,25)/t10-/m1/s1.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 90222565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).