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

C23H22N2O3 — CID 18629325

IUPAC1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CNC3C)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C23H22N2O3/c1-12-17(15-5-6-18-13(2)24-11-16(18)9-15)7-8-25-21(12)19(14-3-4-14)10-20(22(25)26)23(27)28/h5-10,13-14,24H,3-4,11H2,1-2H3,(H,27,28)
InChIKeyNSBMSWFCQDGFJT-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.01
Rot. Bonds3

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

1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid (PubChem CID 18629325) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid
PubChem CID18629325
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid
SMILESCc1c(-c2ccc3c(c2)CNC3C)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12
InChIInChI=1S/C23H22N2O3/c1-12-17(15-5-6-18-13(2)24-11-16(18)9-15)7-8-25-21(12)19(14-3-4-14)10-20(22(25)26)23(27)28/h5-10,13-14,24H,3-4,11H2,1-2H3,(H,27,28)
InChIKeyNSBMSWFCQDGFJT-UHFFFAOYSA-N
XLogP4.01
TPSA70.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid (CID 18629325) is 1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid is Cc1c(-c2ccc3c(c2)CNC3C)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid?
The InChIKey is NSBMSWFCQDGFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-12-17(15-5-6-18-13(2)24-11-16(18)9-15)7-8-25-21(12)19(14-3-4-14)10-20(22(25)26)23(27)28/h5-10,13-14,24H,3-4,11H2,1-2H3,(H,27,28).
What are the key properties of 1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid?
1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-9-methyl-8-(1-methyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxoquinolizine-3-carboxylic acid is sourced from PubChem (CID 18629325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).