17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one

C31H28N6O2 — CID 2041314

IUPAC17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
SMILESCCn1c2ccccc2c2cc(-n3c4nc5ccccc5nc4c4c(=O)n(CCCOC)c(C)nc43)ccc21
InChIInChI=1S/C31H28N6O2/c1-4-35-25-13-8-5-10-21(25)22-18-20(14-15-26(22)35)37-29-27(31(38)36(19(2)32-29)16-9-17-39-3)28-30(37)34-24-12-7-6-11-23(24)33-28/h5-8,10-15,18H,4,9,16-17H2,1-3H3
InChIKeyBGWDWUAIRFHJPC-UHFFFAOYSA-N
MW516.61 g/mol
LogP5.76
Rot. Bonds6

About 17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one

17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one (PubChem CID 2041314) has the molecular formula C31H28N6O2 and a molecular weight of 516.61 g/mol. Its IUPAC name is 17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.

Molecular Properties

Compound Name17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
PubChem CID2041314
Molecular FormulaC31H28N6O2
Molecular Weight516.61 g/mol
Exact Mass516.23
IUPAC Name17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
SMILESCCn1c2ccccc2c2cc(-n3c4nc5ccccc5nc4c4c(=O)n(CCCOC)c(C)nc43)ccc21
InChIInChI=1S/C31H28N6O2/c1-4-35-25-13-8-5-10-21(25)22-18-20(14-15-26(22)35)37-29-27(31(38)36(19(2)32-29)16-9-17-39-3)28-30(37)34-24-12-7-6-11-23(24)33-28/h5-8,10-15,18H,4,9,16-17H2,1-3H3
InChIKeyBGWDWUAIRFHJPC-UHFFFAOYSA-N
XLogP5.76
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.61
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one?
The IUPAC name of 17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one (CID 2041314) is 17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
What is the SMILES notation for 17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one?
The canonical SMILES for 17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one is CCn1c2ccccc2c2cc(-n3c4nc5ccccc5nc4c4c(=O)n(CCCOC)c(C)nc43)ccc21.
What is the InChIKey of 17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one?
The InChIKey is BGWDWUAIRFHJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O2/c1-4-35-25-13-8-5-10-21(25)22-18-20(14-15-26(22)35)37-29-27(31(38)36(19(2)32-29)16-9-17-39-3)28-30(37)34-24-12-7-6-11-23(24)33-28/h5-8,10-15,18H,4,9,16-17H2,1-3H3.
What are the key properties of 17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one?
17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one has a molecular weight of 516.61 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(9-ethylcarbazol-3-yl)-13-(3-methoxypropyl)-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one is sourced from PubChem (CID 2041314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).