potassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate

C22H19KN2O3 — CID 88925552

IUPACpotassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate
SMILESCc1c(-c2ccc3c(c2)CCN3)ccn2c(=O)c(C(=O)[O-])cc(C3CC3)c12.[K+]
InChIInChI=1S/C22H20N2O3.K/c1-12-16(14-4-5-19-15(10-14)6-8-23-19)7-9-24-20(12)17(13-2-3-13)11-18(21(24)25)22(26)27;/h4-5,7,9-11,13,23H,2-3,6,8H2,1H3,(H,26,27);/q;+1/p-1
InChIKeyXGORBOPSDNNDDT-UHFFFAOYSA-M
MW398.50 g/mol
LogP-0.51
Rot. Bonds3

About potassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate

potassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate (PubChem CID 88925552) has the molecular formula C22H19KN2O3 and a molecular weight of 398.50 g/mol. Its IUPAC name is potassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Namepotassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate
PubChem CID88925552
Molecular FormulaC22H19KN2O3
Molecular Weight398.50 g/mol
Exact Mass398.10
IUPAC Namepotassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate
SMILESCc1c(-c2ccc3c(c2)CCN3)ccn2c(=O)c(C(=O)[O-])cc(C3CC3)c12.[K+]
InChIInChI=1S/C22H20N2O3.K/c1-12-16(14-4-5-19-15(10-14)6-8-23-19)7-9-24-20(12)17(13-2-3-13)11-18(21(24)25)22(26)27;/h4-5,7,9-11,13,23H,2-3,6,8H2,1H3,(H,26,27);/q;+1/p-1
InChIKeyXGORBOPSDNNDDT-UHFFFAOYSA-M
XLogP-0.51
TPSA73.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate?
The IUPAC name of potassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate (CID 88925552) is potassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for potassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for potassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate is Cc1c(-c2ccc3c(c2)CCN3)ccn2c(=O)c(C(=O)[O-])cc(C3CC3)c12.[K+].
What is the InChIKey of potassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate?
The InChIKey is XGORBOPSDNNDDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20N2O3.K/c1-12-16(14-4-5-19-15(10-14)6-8-23-19)7-9-24-20(12)17(13-2-3-13)11-18(21(24)25)22(26)27;/h4-5,7,9-11,13,23H,2-3,6,8H2,1H3,(H,26,27);/q;+1/p-1.
What are the key properties of potassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate?
potassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate has a molecular weight of 398.50 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 88925552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).