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

C23H24N2O7S — CID 146515204

IUPAC12-(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
SMILESO=C(O)c1cn2c(cc1=O)-c1c(cc(OCCC3CC3)c3c1CCO3)CN2S(=O)(=O)C1CC1
InChIInChI=1S/C23H24N2O7S/c26-19-10-18-21-14(9-20(22-16(21)6-8-32-22)31-7-5-13-1-2-13)11-25(33(29,30)15-3-4-15)24(18)12-17(19)23(27)28/h9-10,12-13,15H,1-8,11H2,(H,27,28)
InChIKeyYKCVXKRLCSOBHP-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.27
Rot. Bonds7

About 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

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 (PubChem CID 146515204) has the molecular formula C23H24N2O7S and a molecular weight of 472.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-(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
PubChem CID146515204
Molecular FormulaC23H24N2O7S
Molecular Weight472.52 g/mol
Exact Mass472.13
IUPAC Name12-(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
SMILESO=C(O)c1cn2c(cc1=O)-c1c(cc(OCCC3CC3)c3c1CCO3)CN2S(=O)(=O)C1CC1
InChIInChI=1S/C23H24N2O7S/c26-19-10-18-21-14(9-20(22-16(21)6-8-32-22)31-7-5-13-1-2-13)11-25(33(29,30)15-3-4-15)24(18)12-17(19)23(27)28/h9-10,12-13,15H,1-8,11H2,(H,27,28)
InChIKeyYKCVXKRLCSOBHP-UHFFFAOYSA-N
XLogP2.27
TPSA115.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
(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
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
methyl 4-oxo-8-phenyl-12-phenylmethoxy-14-oxa-7,8-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,5,10,12-pentaene-5-carboxylate
CID 146515260
(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
ethyl 4-oxo-12-phenylmethoxy-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 146515253
(5S)-5-tert-butyl-12-methyl-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid
CID 153411344
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
(5S)-12-bromo-5-tert-butyl-9-oxo-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid
CID 139328741
2-oxo-9,10-dipropoxy-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251775
5-tert-butyl-9-oxo-12-pyrrolidin-1-yl-2,3,4,5-tetrahydro-[1]benzofuro[5,4-a]quinolizine-8-carboxylic acid
CID 139336179
6-tert-butyl-10-methoxy-9-(3-methylsulfonylpropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251799

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(O)c1cn2c(cc1=O)-c1c(cc(OCCC3CC3)c3c1CCO3)CN2S(=O)(=O)C1CC1.
What is the InChIKey of 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?
The InChIKey is YKCVXKRLCSOBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7S/c26-19-10-18-21-14(9-20(22-16(21)6-8-32-22)31-7-5-13-1-2-13)11-25(33(29,30)15-3-4-15)24(18)12-17(19)23(27)28/h9-10,12-13,15H,1-8,11H2,(H,27,28).
What are the key properties of 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?
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 has a molecular weight of 472.52 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146515204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).