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

C21H16N3O3- — CID 140617061

IUPAC1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate
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)/p-1
InChIKeyYQARGEVTFGNCMZ-UHFFFAOYSA-M
MW358.38 g/mol
LogP2.39
Rot. Bonds3

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

1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate (PubChem CID 140617061) has the molecular formula C21H16N3O3- and a molecular weight of 358.38 g/mol. Its IUPAC name is 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate.

Molecular Properties

Compound Name1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate
PubChem CID140617061
Molecular FormulaC21H16N3O3-
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate
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)/p-1
InChIKeyYQARGEVTFGNCMZ-UHFFFAOYSA-M
XLogP2.39
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-carboxylate?
The IUPAC name of 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate (CID 140617061) is 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate.
What is the SMILES notation for 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate?
The canonical SMILES for 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate 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-carboxylate?
The InChIKey is YQARGEVTFGNCMZ-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate?
1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate has a molecular weight of 358.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-(1H-indazol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylate is sourced from PubChem (CID 140617061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).