(6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid

C24H25NO4 — CID 158748722

IUPAC(6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid
SMILESCC(C)(C)[C@@H]1CC2=C(Cc3c(OC4CC4)cccc32)c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C24H25NO4/c1-24(2,3)22-10-15-14-5-4-6-21(29-13-7-8-13)17(14)9-16(15)19-11-20(26)18(23(27)28)12-25(19)22/h4-6,11-13,22H,7-10H2,1-3H3,(H,27,28)/t22-/m0/s1
InChIKeyINEUPSKHGSIOQH-QFIPXVFZSA-N
MW391.47 g/mol
LogP4.55
Rot. Bonds3

About (6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid

(6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid (PubChem CID 158748722) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is (6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name(6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid
PubChem CID158748722
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name(6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid
SMILESCC(C)(C)[C@@H]1CC2=C(Cc3c(OC4CC4)cccc32)c2cc(=O)c(C(=O)O)cn21
InChIInChI=1S/C24H25NO4/c1-24(2,3)22-10-15-14-5-4-6-21(29-13-7-8-13)17(14)9-16(15)19-11-20(26)18(23(27)28)12-25(19)22/h4-6,11-13,22H,7-10H2,1-3H3,(H,27,28)/t22-/m0/s1
InChIKeyINEUPSKHGSIOQH-QFIPXVFZSA-N
XLogP4.55
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid with MolForge

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Related Compounds

(6S)-6-tert-butyl-2-oxo-11-(1H-pyrazol-5-yl)-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid
CID 157191772
6-tert-butyl-11-cyclopropyloxy-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146470627
6-tert-butyl-11-(oxetan-3-yloxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146470651
6-tert-butyl-10-(4-cyclopropyloxyphenyl)-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 139328964
6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;hydrochloride
CID 142732991
6-tert-butyl-9-[6-(cyclobutylamino)-3-pyridinyl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 135228548
(5S)-5-tert-butyl-9-oxo-4,5-dihydro-[1]benzothiolo[6,7-a]quinolizine-8-carboxylic acid
CID 155471803
(8R)-8-tert-butyl-13-methoxy-4-oxo-7,10,11-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,5,11,13,15-hexaene-5-carboxylic acid
CID 138657775
6-tert-butyl-2-oxo-11-(1H-pyrazol-4-yl)-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146470772
(6S)-6-tert-butyl-11-(2-methylpyrazol-3-yl)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146470650
6-tert-butyl-10-(difluoromethoxy)-2-oxo-6,7-dihydro-[1]benzofuro[2,3-a]quinolizine-3-carboxylic acid
CID 146448510
(2R,6R)-16-methylsulfonyl-10-oxo-3-oxa-7-azapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),8,11,15(20),16,18-hexaene-9-carboxylic acid
CID 161231698

Frequently Asked Questions

What is the IUPAC name of (6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid?
The IUPAC name of (6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid (CID 158748722) is (6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid.
What is the SMILES notation for (6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid?
The canonical SMILES for (6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid is CC(C)(C)[C@@H]1CC2=C(Cc3c(OC4CC4)cccc32)c2cc(=O)c(C(=O)O)cn21.
What is the InChIKey of (6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid?
The InChIKey is INEUPSKHGSIOQH-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25NO4/c1-24(2,3)22-10-15-14-5-4-6-21(29-13-7-8-13)17(14)9-16(15)19-11-20(26)18(23(27)28)12-25(19)22/h4-6,11-13,22H,7-10H2,1-3H3,(H,27,28)/t22-/m0/s1.
What are the key properties of (6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid?
(6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid has a molecular weight of 391.47 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-tert-butyl-11-cyclopropyloxy-2-oxo-7,12-dihydro-6H-indeno[2,1-a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 158748722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).