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

C25H30N2O5 — CID 146515360

IUPACethyl 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
SMILESCCOC(=O)c1cn2c(cc1=O)-c1c(cc(OCCC3CC3)c3c1CCO3)CN2C(C)C
InChIInChI=1S/C25H30N2O5/c1-4-30-25(29)19-14-27-20(12-21(19)28)23-17(13-26(27)15(2)3)11-22(24-18(23)8-10-32-24)31-9-7-16-5-6-16/h11-12,14-16H,4-10,13H2,1-3H3
InChIKeyLSHDHRWPTINXTA-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.67
Rot. Bonds7

About 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

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 (PubChem CID 146515360) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID146515360
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Nameethyl 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
SMILESCCOC(=O)c1cn2c(cc1=O)-c1c(cc(OCCC3CC3)c3c1CCO3)CN2C(C)C
InChIInChI=1S/C25H30N2O5/c1-4-30-25(29)19-14-27-20(12-21(19)28)23-17(13-26(27)15(2)3)11-22(24-18(23)8-10-32-24)31-9-7-16-5-6-16/h11-12,14-16H,4-10,13H2,1-3H3
InChIKeyLSHDHRWPTINXTA-UHFFFAOYSA-N
XLogP3.67
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
(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
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
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
ethyl 5-hydroxy-12-oxo-8-propan-2-yl-2,3,7,8-tetrahydro-1H-chromeno[5,6-a]quinolizine-11-carboxylate
CID 162350248
tert-butyl 10-hydroxy-9-methoxy-2-oxo-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylate
CID 126540375
ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate
CID 106203446
ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate
CID 114157704
ethyl (6S)-6-tert-butyl-3-(cyclopropylmethoxy)-2-methyl-10-oxo-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylate
CID 142554047
ethyl 10-ethoxy-9-(3-methoxypropoxy)-6-(2-methylbutan-2-yl)-2-oxo-7H-pyrido[2,1-a]phthalazine-3-carboxylate
CID 135296934

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1cn2c(cc1=O)-c1c(cc(OCCC3CC3)c3c1CCO3)CN2C(C)C.
What is the InChIKey of 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?
The InChIKey is LSHDHRWPTINXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-4-30-25(29)19-14-27-20(12-21(19)28)23-17(13-26(27)15(2)3)11-22(24-18(23)8-10-32-24)31-9-7-16-5-6-16/h11-12,14-16H,4-10,13H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 438.52 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146515360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).