17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one

C26H26N2O — CID 135393838

IUPAC17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one
SMILESCCN(CC)c1ccc(C2C3=C(CCC3=O)Nc3ccc4ccccc4c32)cc1
InChIInChI=1S/C26H26N2O/c1-3-28(4-2)19-12-9-18(10-13-19)24-25-20-8-6-5-7-17(20)11-14-21(25)27-22-15-16-23(29)26(22)24/h5-14,24,27H,3-4,15-16H2,1-2H3
InChIKeyADALEDYBFNXKOQ-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.86
Rot. Bonds4

About 17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one

17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one (PubChem CID 135393838) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one.

Molecular Properties

Compound Name17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one
PubChem CID135393838
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one
SMILESCCN(CC)c1ccc(C2C3=C(CCC3=O)Nc3ccc4ccccc4c32)cc1
InChIInChI=1S/C26H26N2O/c1-3-28(4-2)19-12-9-18(10-13-19)24-25-20-8-6-5-7-17(20)11-14-21(25)27-22-15-16-23(29)26(22)24/h5-14,24,27H,3-4,15-16H2,1-2H3
InChIKeyADALEDYBFNXKOQ-UHFFFAOYSA-N
XLogP5.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one 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

9,9-dimethyl-12-(4-methylphenyl)-7,8,10,12-tetrahydrobenzo[a]acridin-11-one;ethane
CID 169270874
12-[4-(hydroxymethyl)phenyl]-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 177269525
(12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 7419120
11-(4-methylphenyl)-7,8,9,11-tetrahydrocyclopenta[b][4,7]phenanthrolin-10-one
CID 71518099
20-(3,4-dichlorophenyl)-9-ethyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,19]icosa-1(13),2(10),3,5,7,11,15(19)-heptaen-18-one
CID 139237578
(10R)-10-[4-(diethylamino)phenyl]-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 27878729
(9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879337
5-[4-(diethylamino)phenyl]-2-propan-2-ylsulfanyl-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135534955
9-[4-(diethylamino)phenyl]-6,7,8-trimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one
CID 17285553
(4S)-4-[4-(diethylamino)phenyl]-7,7-dimethyl-2-phenyl-4,6,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 42548224
2-butan-2-ylsulfanyl-5-[4-(diethylamino)phenyl]-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135405522
(17R)-17-(1,3-benzodioxol-5-yl)-14-oxa-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one
CID 7419102

Frequently Asked Questions

What is the IUPAC name of 17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one?
The IUPAC name of 17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one (CID 135393838) is 17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one.
What is the SMILES notation for 17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one?
The canonical SMILES for 17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one is CCN(CC)c1ccc(C2C3=C(CCC3=O)Nc3ccc4ccccc4c32)cc1.
What is the InChIKey of 17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one?
The InChIKey is ADALEDYBFNXKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-3-28(4-2)19-12-9-18(10-13-19)24-25-20-8-6-5-7-17(20)11-14-21(25)27-22-15-16-23(29)26(22)24/h5-14,24,27H,3-4,15-16H2,1-2H3.
What are the key properties of 17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one?
17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one has a molecular weight of 382.51 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one is sourced from PubChem (CID 135393838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).