4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one

C26H27BrN4O3 — CID 90926220

IUPAC4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one
SMILESCC(C)n1c(O)c2n(c1=O)C(c1ccc(N3CCOCC3)cc1)c1[nH]c3ccc(Br)cc3c1C2
InChIInChI=1S/C26H27BrN4O3/c1-15(2)30-25(32)22-14-20-19-13-17(27)5-8-21(19)28-23(20)24(31(22)26(30)33)16-3-6-18(7-4-16)29-9-11-34-12-10-29/h3-8,13,15,24,28,32H,9-12,14H2,1-2H3
InChIKeyDQOOSNPEOOMYLS-UHFFFAOYSA-N
MW523.43 g/mol
LogP4.56
Rot. Bonds3

About 4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one

4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one (PubChem CID 90926220) has the molecular formula C26H27BrN4O3 and a molecular weight of 523.43 g/mol. Its IUPAC name is 4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one.

Molecular Properties

Compound Name4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one
PubChem CID90926220
Molecular FormulaC26H27BrN4O3
Molecular Weight523.43 g/mol
Exact Mass522.13
IUPAC Name4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one
SMILESCC(C)n1c(O)c2n(c1=O)C(c1ccc(N3CCOCC3)cc1)c1[nH]c3ccc(Br)cc3c1C2
InChIInChI=1S/C26H27BrN4O3/c1-15(2)30-25(32)22-14-20-19-13-17(27)5-8-21(19)28-23(20)24(31(22)26(30)33)16-3-6-18(7-4-16)29-9-11-34-12-10-29/h3-8,13,15,24,28,32H,9-12,14H2,1-2H3
InChIKeyDQOOSNPEOOMYLS-UHFFFAOYSA-N
XLogP4.56
TPSA75.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.43
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-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

Related Compounds

4-bromo-14-hydroxy-10-(4-methoxyphenyl)-13-[4-(trifluoromethyl)phenyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaene-12-thione
CID 91018844
1-[4-[3-[4-[4-bromo-13-(4-chlorophenyl)-14-hydroxy-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-10-yl]phenoxy]propyl]piperazin-1-yl]ethanone
CID 91248478
13-cyclohexyl-14-hydroxy-10-(4-methoxyphenyl)-4-methyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one
CID 123988198
(1S,3S)-2-(2-chloroacetyl)-3-methyl-1-(4-morpholin-4-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonitrile
CID 139446619
6-morpholin-4-yl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
CID 68738034
6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135481875
4-bromo-13-(4-chlorophenyl)-10-[4-(3-morpholin-4-ylpropoxy)phenyl]-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraen-14-one
CID 59767129
1-[(1S,3S)-3-methyl-1-(4-morpholin-4-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]prop-2-en-1-one
CID 139446791
2-fluoro-1-[(1S,3S)-3-methyl-1-(4-morpholin-4-ylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone
CID 139446534
(10S)-13-butyl-14-hydroxy-10-[4-(trifluoromethyl)phenyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,14-pentaen-12-one
CID 54302296
(10R)-13-cyclohexyl-10-(4-ethoxyphenyl)-14-hydroxy-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,14-pentaen-12-one
CID 91900416
4-bromo-13-propan-2-yl-10-(4-pyrimidin-5-ylphenyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5-tetraene-12,14-dione
CID 59767087

Frequently Asked Questions

What is the IUPAC name of 4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one?
The IUPAC name of 4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one (CID 90926220) is 4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one.
What is the SMILES notation for 4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one?
The canonical SMILES for 4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one is CC(C)n1c(O)c2n(c1=O)C(c1ccc(N3CCOCC3)cc1)c1[nH]c3ccc(Br)cc3c1C2.
What is the InChIKey of 4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one?
The InChIKey is DQOOSNPEOOMYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN4O3/c1-15(2)30-25(32)22-14-20-19-13-17(27)5-8-21(19)28-23(20)24(31(22)26(30)33)16-3-6-18(7-4-16)29-9-11-34-12-10-29/h3-8,13,15,24,28,32H,9-12,14H2,1-2H3.
What are the key properties of 4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one?
4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one has a molecular weight of 523.43 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-14-hydroxy-10-(4-morpholin-4-ylphenyl)-13-propan-2-yl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,14-pentaen-12-one is sourced from PubChem (CID 90926220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).