19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

C26H30N4O3 — CID 172576602

IUPAC19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESCCn1c2cccc(OC)c2c2c3c(c4c(c21)CCC4)C(=O)N(CN1CCN(C)CC1)C3=O
InChIInChI=1S/C26H30N4O3/c1-4-29-18-9-6-10-19(33-3)21(18)22-23-20(16-7-5-8-17(16)24(22)29)25(31)30(26(23)32)15-28-13-11-27(2)12-14-28/h6,9-10H,4-5,7-8,11-15H2,1-3H3
InChIKeyOVZSSHYHORVURC-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.11
Rot. Bonds4

About 19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione

19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (PubChem CID 172576602) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.

Molecular Properties

Compound Name19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
PubChem CID172576602
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
SMILESCCn1c2cccc(OC)c2c2c3c(c4c(c21)CCC4)C(=O)N(CN1CCN(C)CC1)C3=O
InChIInChI=1S/C26H30N4O3/c1-4-29-18-9-6-10-19(33-3)21(18)22-23-20(16-7-5-8-17(16)24(22)29)25(31)30(26(23)32)15-28-13-11-27(2)12-14-28/h6,9-10H,4-5,7-8,11-15H2,1-3H3
InChIKeyOVZSSHYHORVURC-UHFFFAOYSA-N
XLogP3.11
TPSA58.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione with MolForge

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Related Compounds

19-[[2-ethoxyethyl(methyl)amino]methyl]-14-methoxy-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione
CID 143599705
1-ethyl-5-methoxy-3,1-benzoxazine-2,4-dione
CID 141490009
5-ethyl-9-methoxy-1-methyl-1H-thiopyrano[4,3-b]indol-4-one
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1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351
3-ethyl-13-(2-hydroxyethyl)-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 137393235
9-benzyl-5-methoxy-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid
CID 22739584
1-[2-(2,6-dimethoxyphenoxy)ethyl]piperidin-4-one
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CID 117262276
1-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 94274694
7-methoxy-2-methyl-3H-isoindol-1-one
CID 84717848
3-bromo-1-ethyl-4-methoxyindazole
CID 84729293
3-ethyl-4-methoxy-1H-benzimidazol-2-one
CID 117209129

Frequently Asked Questions

What is the IUPAC name of 19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The IUPAC name of 19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione (CID 172576602) is 19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione.
What is the SMILES notation for 19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The canonical SMILES for 19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is CCn1c2cccc(OC)c2c2c3c(c4c(c21)CCC4)C(=O)N(CN1CCN(C)CC1)C3=O.
What is the InChIKey of 19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
The InChIKey is OVZSSHYHORVURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-4-29-18-9-6-10-19(33-3)21(18)22-23-20(16-7-5-8-17(16)24(22)29)25(31)30(26(23)32)15-28-13-11-27(2)12-14-28/h6,9-10H,4-5,7-8,11-15H2,1-3H3.
What are the key properties of 19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione?
19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione has a molecular weight of 446.55 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19-ethyl-14-methoxy-9-[(4-methylpiperazin-1-yl)methyl]-9,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),2(6),7(11),13(18),14,16-hexaene-8,10-dione is sourced from PubChem (CID 172576602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).