1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride

C22H21ClN2O3 — CID 88925639

IUPAC1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
SMILESCc1c(-c2ccc3c(c2)CCN3)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12.Cl
InChIInChI=1S/C22H20N2O3.ClH/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);1H
InChIKeyXRFIJGOAEOUNAV-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.24
Rot. Bonds3

About 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride

1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride (PubChem CID 88925639) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
PubChem CID88925639
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride
SMILESCc1c(-c2ccc3c(c2)CCN3)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12.Cl
InChIInChI=1S/C22H20N2O3.ClH/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);1H
InChIKeyXRFIJGOAEOUNAV-UHFFFAOYSA-N
XLogP4.24
TPSA70.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride (CID 88925639) is 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride is Cc1c(-c2ccc3c(c2)CCN3)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12.Cl.
What is the InChIKey of 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride?
The InChIKey is XRFIJGOAEOUNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3.ClH/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);1H.
What are the key properties of 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride?
1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride has a molecular weight of 396.87 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-(2,3-dihydro-1H-indol-5-yl)-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 88925639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).