1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid

C21H17N3O3 — CID 56959106

IUPAC1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3[nH]ncc3c2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C21H17N3O3/c1-11-15(13-4-5-18-14(8-13)10-22-23-18)6-7-24-19(11)16(12-2-3-12)9-17(20(24)25)21(26)27/h4-10,12H,2-3H2,1H3,(H,22,23)(H,26,27)
InChIKeyYQARGEVTFGNCMZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.73
Rot. Bonds3

About 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid

1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid (PubChem CID 56959106) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
PubChem CID56959106
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3[nH]ncc3c2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C21H17N3O3/c1-11-15(13-4-5-18-14(8-13)10-22-23-18)6-7-24-19(11)16(12-2-3-12)9-17(20(24)25)21(26)27/h4-10,12H,2-3H2,1H3,(H,22,23)(H,26,27)
InChIKeyYQARGEVTFGNCMZ-UHFFFAOYSA-N
XLogP3.73
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid (CID 56959106) is 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid is Cc1c(-c2ccc3[nH]ncc3c2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is YQARGEVTFGNCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-11-15(13-4-5-18-14(8-13)10-22-23-18)6-7-24-19(11)16(12-2-3-12)9-17(20(24)25)21(26)27/h4-10,12H,2-3H2,1H3,(H,22,23)(H,26,27).
What are the key properties of 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid?
1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 359.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 56959106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).