(7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid

C24H27NO5 — CID 146515219

IUPAC(7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid
SMILESCC(C)[C@@H]1Cc2cc(OCCC3CC3)c3c(c2-c2cc(=O)c(C(=O)O)cn21)CCO3
InChIInChI=1S/C24H27NO5/c1-13(2)18-9-15-10-21(29-7-5-14-3-4-14)23-16(6-8-30-23)22(15)19-11-20(26)17(24(27)28)12-25(18)19/h10-14,18H,3-9H2,1-2H3,(H,27,28)/t18-/m0/s1
InChIKeyHWWBULLOFVUFOQ-SFHVURJKSA-N
MW409.48 g/mol
LogP4.08
Rot. Bonds6

About (7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid

(7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid (PubChem CID 146515219) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is (7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid.

Molecular Properties

Compound Name(7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid
PubChem CID146515219
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name(7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid
SMILESCC(C)[C@@H]1Cc2cc(OCCC3CC3)c3c(c2-c2cc(=O)c(C(=O)O)cn21)CCO3
InChIInChI=1S/C24H27NO5/c1-13(2)18-9-15-10-21(29-7-5-14-3-4-14)23-16(6-8-30-23)22(15)19-11-20(26)17(24(27)28)12-25(18)19/h10-14,18H,3-9H2,1-2H3,(H,27,28)/t18-/m0/s1
InChIKeyHWWBULLOFVUFOQ-SFHVURJKSA-N
XLogP4.08
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid with MolForge

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Related Compounds

19-(2-cyclopropylethoxy)-5,5-dimethyl-10-oxo-17-oxa-7-azapentacyclo[11.7.0.02,6.07,12.014,18]icosa-1(20),8,11,13,18-pentaene-9-carboxylic acid
CID 146515248
(2R)-9-acetyl-19-(2-cyclopropylethoxy)-5,5-dimethyl-17-oxa-6,7-diazapentacyclo[11.7.0.02,6.07,12.014,18]icosa-1(20),8,11,13,18-pentaen-10-one;4-(2-cyclopropylethoxy)-10-(1-hydroxyethenyl)-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizin-11-one;(7R)-4-(2-cyclopropylethoxy)-10-(1-hydroxyethenyl)-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizin-11-one;(7R)-10-(1-hydroxyethenyl)-4-(3-methoxypropoxy)-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizin-11-one
CID 163932626
12-(2-cyclopropylethoxy)-8-cyclopropylsulfonyl-4-oxo-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylic acid
CID 146515204
4-[1-(difluoromethyl)pyrazol-4-yl]-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid
CID 146515155
ethyl 12-(2-cyclopropylethoxy)-4-oxo-8-propan-2-yl-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate
CID 146515360
ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate
CID 162350248
(7R)-4-[1-(difluoromethyl)pyrazol-4-yl]-10-(1-hydroxyethenyl)-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizin-11-one
CID 163803085
9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251739
10-acetyl-4-(1-cyclobutylpyrazol-4-yl)-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizin-11-one
CID 163809690
(6S)-9-[2-(4-carboxyphenyl)ethoxy]-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 170602223
10-fluoro-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251877
(6S)-2-methoxy-3-(3-methoxypropoxy)-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
CID 139462206

Frequently Asked Questions

What is the IUPAC name of (7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid?
The IUPAC name of (7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid (CID 146515219) is (7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid.
What is the SMILES notation for (7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid?
The canonical SMILES for (7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid is CC(C)[C@@H]1Cc2cc(OCCC3CC3)c3c(c2-c2cc(=O)c(C(=O)O)cn21)CCO3.
What is the InChIKey of (7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid?
The InChIKey is HWWBULLOFVUFOQ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27NO5/c1-13(2)18-9-15-10-21(29-7-5-14-3-4-14)23-16(6-8-30-23)22(15)19-11-20(26)17(24(27)28)12-25(18)19/h10-14,18H,3-9H2,1-2H3,(H,27,28)/t18-/m0/s1.
What are the key properties of (7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid?
(7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid has a molecular weight of 409.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-(2-cyclopropylethoxy)-11-oxo-7-propan-2-yl-1,2,6,7-tetrahydro-[1]benzofuro[4,5-a]quinolizine-10-carboxylic acid is sourced from PubChem (CID 146515219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).