cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate

C28H23N3O4 — CID 142254258

IUPACcyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate
SMILESC1=CCCC1.CCOC(=O)N1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O
InChIInChI=1S/C23H15N3O4.C5H8/c1-2-30-23(29)26-21(27)17-15-11-7-3-5-9-13(11)24-19(15)20-16(18(17)22(26)28)12-8-4-6-10-14(12)25-20;1-2-4-5-3-1/h3-10,24-25H,2H2,1H3;1-2H,3-5H2
InChIKeyNXARCRBRBDDAGM-UHFFFAOYSA-N
MW465.51 g/mol
LogP6.43
Rot. Bonds1

About cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate

cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate (PubChem CID 142254258) has the molecular formula C28H23N3O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate.

Molecular Properties

Compound Namecyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate
PubChem CID142254258
Molecular FormulaC28H23N3O4
Molecular Weight465.51 g/mol
Exact Mass465.17
IUPAC Namecyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate
SMILESC1=CCCC1.CCOC(=O)N1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O
InChIInChI=1S/C23H15N3O4.C5H8/c1-2-30-23(29)26-21(27)17-15-11-7-3-5-9-13(11)24-19(15)20-16(18(17)22(26)28)12-8-4-6-10-14(12)25-20;1-2-4-5-3-1/h3-10,24-25H,2H2,1H3;1-2H,3-5H2
InChIKeyNXARCRBRBDDAGM-UHFFFAOYSA-N
XLogP6.43
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[(4S)-4-hydroxycyclopent-2-en-1-yl]-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate
CID 58936694
ethyl 3-[(4R)-4-acetamidocyclopent-2-en-1-yl]-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate
CID 71171662
9-[(2S)-2,6-diaminohexanoyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13,15,17-hexaene-8,10-dione;hydrochloride
CID 72707163
cyclopentene;7,19-difluoro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 142254318
diethyl 4-methyl-5H-pyrido[4,3-b]indole-1,3-dicarboxylate
CID 102268938
ethyl 4-chloro-9H-carbazole-2-carboxylate
CID 59626415
3-methylcyclohexene;3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 142254189
ethyl 3-[(cyclobutylamino)methyl]-1H-indole-2-carboxylate
CID 156746164
N-(12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-13-yl)formamide
CID 5480816
ethyl 4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 6622349
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
ethyl 4-methyl-9H-carbazole-2-carboxylate
CID 14636527

Frequently Asked Questions

What is the IUPAC name of cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate?
The IUPAC name of cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate (CID 142254258) is cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate.
What is the SMILES notation for cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate?
The canonical SMILES for cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate is C1=CCCC1.CCOC(=O)N1C(=O)c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C1=O.
What is the InChIKey of cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate?
The InChIKey is NXARCRBRBDDAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O4.C5H8/c1-2-30-23(29)26-21(27)17-15-11-7-3-5-9-13(11)24-19(15)20-16(18(17)22(26)28)12-8-4-6-10-14(12)25-20;1-2-4-5-3-1/h3-10,24-25H,2H2,1H3;1-2H,3-5H2.
What are the key properties of cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate?
cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate has a molecular weight of 465.51 g/mol, XLogP of 6.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentene;ethyl 12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-13-carboxylate is sourced from PubChem (CID 142254258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).