potassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate

C22H18KN3O3 — CID 88925649

IUPACpotassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate
SMILESCc1cn2c(=O)c(C(=O)[O-])cc(C3CC3)c2c(C)c1-c1ccc2[nH]ncc2c1.[K+]
InChIInChI=1S/C22H19N3O3.K/c1-11-10-25-20(16(13-3-4-13)8-17(21(25)26)22(27)28)12(2)19(11)14-5-6-18-15(7-14)9-23-24-18;/h5-10,13H,3-4H2,1-2H3,(H,23,24)(H,27,28);/q;+1/p-1
InChIKeyVGQCVRBNHJYAQL-UHFFFAOYSA-M
MW411.50 g/mol
LogP-0.30
Rot. Bonds3

About potassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate

potassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate (PubChem CID 88925649) has the molecular formula C22H18KN3O3 and a molecular weight of 411.50 g/mol. Its IUPAC name is potassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Namepotassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate
PubChem CID88925649
Molecular FormulaC22H18KN3O3
Molecular Weight411.50 g/mol
Exact Mass411.10
IUPAC Namepotassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate
SMILESCc1cn2c(=O)c(C(=O)[O-])cc(C3CC3)c2c(C)c1-c1ccc2[nH]ncc2c1.[K+]
InChIInChI=1S/C22H19N3O3.K/c1-11-10-25-20(16(13-3-4-13)8-17(21(25)26)22(27)28)12(2)19(11)14-5-6-18-15(7-14)9-23-24-18;/h5-10,13H,3-4H2,1-2H3,(H,23,24)(H,27,28);/q;+1/p-1
InChIKeyVGQCVRBNHJYAQL-UHFFFAOYSA-M
XLogP-0.30
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate
CID 140617061
8-(4-carbamoylphenyl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylate
CID 140617064
methyl 8-(6-amino-3-pyridinyl)-1-cyclopropyl-7,9-dimethyl-4-oxoquinolizine-3-carboxylate
CID 88925667
8-(6-amino-3-pyridinyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate
CID 140617062
N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane
CID 91134825
5-(2-cyclopropyl-4-methylimidazol-1-yl)-1H-indazole
CID 172763000
4-hydroxy-6-(1H-indazol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284317
N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide
CID 129191428
1-cyclopropyl-8-(4-hydroxyphenyl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
CID 56959244
3-(1,1-dioxothian-4-yl)-5-(1H-indazol-5-yl)-1H-indole-7-carboxamide
CID 59332704
methyl 1-cyclopropyl-9-methyl-4-oxo-8-pyridin-3-ylquinolizine-3-carboxylate
CID 86696560
5-(2-methyl-4-pyridinyl)-1H-indazole
CID 143158050

Frequently Asked Questions

What is the IUPAC name of potassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate?
The IUPAC name of potassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate (CID 88925649) is potassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for potassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for potassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate is Cc1cn2c(=O)c(C(=O)[O-])cc(C3CC3)c2c(C)c1-c1ccc2[nH]ncc2c1.[K+].
What is the InChIKey of potassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate?
The InChIKey is VGQCVRBNHJYAQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H19N3O3.K/c1-11-10-25-20(16(13-3-4-13)8-17(21(25)26)22(27)28)12(2)19(11)14-5-6-18-15(7-14)9-23-24-18;/h5-10,13H,3-4H2,1-2H3,(H,23,24)(H,27,28);/q;+1/p-1.
What are the key properties of potassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate?
potassium 1-cyclopropyl-8-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate has a molecular weight of 411.50 g/mol, XLogP of -0.30, 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-(1H-indazol-5-yl)-7,9-dimethyl-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 88925649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).