6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid

C20H25N3O4 — CID 10619223

IUPAC6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(N2C[C@@H](C)O[C@@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C20H25N3O4/c1-10-7-22(8-11(2)27-10)18-12(3)17-14(6-16(18)21)19(24)15(20(25)26)9-23(17)13-4-5-13/h6,9-11,13H,4-5,7-8,21H2,1-3H3,(H,25,26)/t10-,11+
InChIKeyCJUOVSIYAKUZJX-PHIMTYICSA-N
MW371.44 g/mol
LogP2.54
Rot. Bonds3

About 6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid

6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 10619223) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID10619223
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCc1c(N2C[C@@H](C)O[C@@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C20H25N3O4/c1-10-7-22(8-11(2)27-10)18-12(3)17-14(6-16(18)21)19(24)15(20(25)26)9-23(17)13-4-5-13/h6,9-11,13H,4-5,7-8,21H2,1-3H3,(H,25,26)/t10-,11+
InChIKeyCJUOVSIYAKUZJX-PHIMTYICSA-N
XLogP2.54
TPSA97.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid (CID 10619223) is 6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid is Cc1c(N2C[C@@H](C)O[C@@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is CJUOVSIYAKUZJX-PHIMTYICSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-10-7-22(8-11(2)27-10)18-12(3)17-14(6-16(18)21)19(24)15(20(25)26)9-23(17)13-4-5-13/h6,9-11,13H,4-5,7-8,21H2,1-3H3,(H,25,26)/t10-,11+.
What are the key properties of 6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid?
6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 371.44 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-cyclopropyl-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-8-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 10619223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).