8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid

C20H16ClNO3 — CID 56959243

IUPAC8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc(Cl)cc2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C20H16ClNO3/c1-11-15(12-4-6-14(21)7-5-12)8-9-22-18(11)16(13-2-3-13)10-17(19(22)23)20(24)25/h4-10,13H,2-3H2,1H3,(H,24,25)
InChIKeyBZGRVHMLPBHNEP-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.50
Rot. Bonds3

About 8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid

8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 56959243) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID56959243
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Name8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc(Cl)cc2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C20H16ClNO3/c1-11-15(12-4-6-14(21)7-5-12)8-9-22-18(11)16(13-2-3-13)10-17(19(22)23)20(24)25/h4-10,13H,2-3H2,1H3,(H,24,25)
InChIKeyBZGRVHMLPBHNEP-UHFFFAOYSA-N
XLogP4.50
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 56959243) is 8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid is Cc1c(-c2ccc(Cl)cc2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is BZGRVHMLPBHNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-11-15(12-4-6-14(21)7-5-12)8-9-22-18(11)16(13-2-3-13)10-17(19(22)23)20(24)25/h4-10,13H,2-3H2,1H3,(H,24,25).
What are the key properties of 8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid?
8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 353.81 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 56959243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).