1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid

C17H18FNO4 — CID 71168479

IUPAC1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid
SMILESCOc1c(C(C)C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C17H18FNO4/c1-8(2)13-12(18)7-19-14(15(13)23-3)10(9-4-5-9)6-11(16(19)20)17(21)22/h6-9H,4-5H2,1-3H3,(H,21,22)
InChIKeyFCTPKIPGJOUCKT-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.15
Rot. Bonds4

About 1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid

1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid (PubChem CID 71168479) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid
PubChem CID71168479
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid
SMILESCOc1c(C(C)C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C17H18FNO4/c1-8(2)13-12(18)7-19-14(15(13)23-3)10(9-4-5-9)6-11(16(19)20)17(21)22/h6-9H,4-5H2,1-3H3,(H,21,22)
InChIKeyFCTPKIPGJOUCKT-UHFFFAOYSA-N
XLogP3.15
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid (CID 71168479) is 1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid is COc1c(C(C)C)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid?
The InChIKey is FCTPKIPGJOUCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-8(2)13-12(18)7-19-14(15(13)23-3)10(9-4-5-9)6-11(16(19)20)17(21)22/h6-9H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid?
1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid has a molecular weight of 319.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-fluoro-9-methoxy-4-oxo-8-propan-2-ylquinolizine-3-carboxylic acid is sourced from PubChem (CID 71168479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).