14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol

C25H27N3O5 — CID 44655813

IUPAC14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol
SMILESCC(C)O.COc1ccc(N2C(=O)C3C(C2=O)C2c4ccccc4C=CN2C3C(N)=O)cc1
InChIInChI=1S/C22H19N3O4.C3H8O/c1-29-14-8-6-13(7-9-14)25-21(27)16-17(22(25)28)19(20(23)26)24-11-10-12-4-2-3-5-15(12)18(16)24;1-3(2)4/h2-11,16-19H,1H3,(H2,23,26);3-4H,1-2H3
InChIKeyLDJBREWLUXYEOX-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.08
Rot. Bonds3

About 14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol

14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol (PubChem CID 44655813) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol.

Molecular Properties

Compound Name14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol
PubChem CID44655813
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol
SMILESCC(C)O.COc1ccc(N2C(=O)C3C(C2=O)C2c4ccccc4C=CN2C3C(N)=O)cc1
InChIInChI=1S/C22H19N3O4.C3H8O/c1-29-14-8-6-13(7-9-14)25-21(27)16-17(22(25)28)19(20(23)26)24-11-10-12-4-2-3-5-15(12)18(16)24;1-3(2)4/h2-11,16-19H,1H3,(H2,23,26);3-4H,1-2H3
InChIKeyLDJBREWLUXYEOX-UHFFFAOYSA-N
XLogP2.08
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol with MolForge

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Related Compounds

(1S,11S,12R,16S)-14-(4-chlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol
CID 163355852
13,15-dioxo-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 5177392
(1R,11S,12R,16R)-14-(4-acetylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 98225305
benzhydryl (1R,11S,12R,16R)-14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxylate
CID 98325773
(1S,11S,12R,16S)-14-(4-acetylphenyl)-11-(4-methoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
CID 6356275
(1S,11R,12R,16S)-14-(2,5-dimethoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 124798525
(1S,11R,12S,16S)-14-(4-bromophenyl)-11-(4-methoxybenzoyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
CID 98453750
[4-[(1S,11S,12S,16S)-14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carbonyl]phenyl] acetate
CID 41020490
(1R,11S,12R,16S)-N-(4-methoxyphenyl)-13,15-dioxo-14-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 41000207
(1R,11R,12S,16S)-14-(3,5-dichlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 40893045
(1R,11S,12R,16R)-14-(3,5-dichlorophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 124785258
(1S,11R,12S,16S)-11-(4-methoxybenzoyl)-14-(4-nitrophenyl)-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
CID 41035186

Frequently Asked Questions

What is the IUPAC name of 14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol?
The IUPAC name of 14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol (CID 44655813) is 14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol.
What is the SMILES notation for 14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol?
The canonical SMILES for 14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol is CC(C)O.COc1ccc(N2C(=O)C3C(C2=O)C2c4ccccc4C=CN2C3C(N)=O)cc1.
What is the InChIKey of 14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol?
The InChIKey is LDJBREWLUXYEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4.C3H8O/c1-29-14-8-6-13(7-9-14)25-21(27)16-17(22(25)28)19(20(23)26)24-11-10-12-4-2-3-5-15(12)18(16)24;1-3(2)4/h2-11,16-19H,1H3,(H2,23,26);3-4H,1-2H3.
What are the key properties of 14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol?
14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol has a molecular weight of 449.51 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide;propan-2-ol is sourced from PubChem (CID 44655813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).