4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide

C26H20N4O3 — CID 3391926

IUPAC4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide
SMILESO=C(Nc1ccccc1)C1C2C(=O)N(c3cccc4ccccc34)C(=O)C2C2C=CC=NN21
InChIInChI=1S/C26H20N4O3/c31-24(28-17-10-2-1-3-11-17)23-22-21(20-14-7-15-27-30(20)23)25(32)29(26(22)33)19-13-6-9-16-8-4-5-12-18(16)19/h1-15,20-23H,(H,28,31)
InChIKeyRTPJRZJAPWKRBC-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.19
Rot. Bonds3

About 4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide

4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide (PubChem CID 3391926) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide.

Molecular Properties

Compound Name4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide
PubChem CID3391926
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide
SMILESO=C(Nc1ccccc1)C1C2C(=O)N(c3cccc4ccccc34)C(=O)C2C2C=CC=NN21
InChIInChI=1S/C26H20N4O3/c31-24(28-17-10-2-1-3-11-17)23-22-21(20-14-7-15-27-30(20)23)25(32)29(26(22)33)19-13-6-9-16-8-4-5-12-18(16)19/h1-15,20-23H,(H,28,31)
InChIKeyRTPJRZJAPWKRBC-UHFFFAOYSA-N
XLogP3.19
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide
CID 4689043
14-naphthalen-1-yl-13,15-dioxo-N-phenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 3922790
(1R,2R,6R,7S)-N-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-3,5-dioxo-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide
CID 124894873
[4-[(1R,2R,6R,7S)-4-naphthalen-1-yl-3,5-dioxo-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carbonyl]phenyl] acetate
CID 124894049
(1S,2S,6R,7S)-N-(4-chlorophenyl)-4-naphthalen-2-yl-3,5-dioxo-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide
CID 92509063
4-(4-bromophenyl)-N-(4-chlorophenyl)-3,5-dioxo-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide
CID 3797377
(1S,11R,12S,16R)-N-(4-chlorophenyl)-14-naphthalen-1-yl-13,15-dioxo-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 98156258
(1S,2R,6R,7S)-7-benzoyl-4-[2-(trifluoromethyl)phenyl]-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
CID 100883535
(1R,2R,6S,7R)-7-benzoyl-4-(2-methoxyphenyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
CID 27787191
(1S,2R,6S,7S)-7-benzoyl-4-(2,4-dimethylphenyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
CID 124894747
(1R,2R,6S,7R)-7-benzoyl-4-ethyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
CID 124924742
(1S,2S,6R,7S)-7-benzoyl-4-(4-fluorophenyl)-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
CID 51900853

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide?
The IUPAC name of 4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide (CID 3391926) is 4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide.
What is the SMILES notation for 4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide?
The canonical SMILES for 4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide is O=C(Nc1ccccc1)C1C2C(=O)N(c3cccc4ccccc34)C(=O)C2C2C=CC=NN21.
What is the InChIKey of 4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide?
The InChIKey is RTPJRZJAPWKRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c31-24(28-17-10-2-1-3-11-17)23-22-21(20-14-7-15-27-30(20)23)25(32)29(26(22)33)19-13-6-9-16-8-4-5-12-18(16)19/h1-15,20-23H,(H,28,31).
What are the key properties of 4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide?
4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-3,5-dioxo-N-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-7-carboxamide is sourced from PubChem (CID 3391926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).