1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid

C19H14ClFN2O4 — CID 11560159

IUPAC1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid
SMILESNC(=O)Cc1cc(C(=O)O)c(=O)n2cc(Cc3cccc(Cl)c3F)ccc12
InChIInChI=1S/C19H14ClFN2O4/c20-14-3-1-2-11(17(14)21)6-10-4-5-15-12(8-16(22)24)7-13(19(26)27)18(25)23(15)9-10/h1-5,7,9H,6,8H2,(H2,22,24)(H,26,27)
InChIKeyXSQMFSFYBLNVLV-UHFFFAOYSA-N
MW388.78 g/mol
LogP2.41
Rot. Bonds5

About 1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid

1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid (PubChem CID 11560159) has the molecular formula C19H14ClFN2O4 and a molecular weight of 388.78 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid
PubChem CID11560159
Molecular FormulaC19H14ClFN2O4
Molecular Weight388.78 g/mol
Exact Mass388.06
IUPAC Name1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid
SMILESNC(=O)Cc1cc(C(=O)O)c(=O)n2cc(Cc3cccc(Cl)c3F)ccc12
InChIInChI=1S/C19H14ClFN2O4/c20-14-3-1-2-11(17(14)21)6-10-4-5-15-12(8-16(22)24)7-13(19(26)27)18(25)23(15)9-10/h1-5,7,9H,6,8H2,(H2,22,24)(H,26,27)
InChIKeyXSQMFSFYBLNVLV-UHFFFAOYSA-N
XLogP2.41
TPSA101.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid (CID 11560159) is 1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid is NC(=O)Cc1cc(C(=O)O)c(=O)n2cc(Cc3cccc(Cl)c3F)ccc12.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is XSQMFSFYBLNVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O4/c20-14-3-1-2-11(17(14)21)6-10-4-5-15-12(8-16(22)24)7-13(19(26)27)18(25)23(15)9-10/h1-5,7,9H,6,8H2,(H2,22,24)(H,26,27).
What are the key properties of 1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid?
1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 388.78 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-7-[(3-chloro-2-fluorophenyl)methyl]-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 11560159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).