3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide

C23H17N3O4 — CID 10046459

IUPAC3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide
SMILESNC(=O)CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O
InChIInChI=1S/C23H17N3O4/c24-18(28)8-9-26-16-7-6-13(27)10-15(16)19-17(26)11-14(12-4-2-1-3-5-12)20-21(19)23(30)25-22(20)29/h1-7,10-11,27H,8-9H2,(H2,24,28)(H,25,29,30)
InChIKeyAQGCORFHRDPTIS-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.93
Rot. Bonds4

About 3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide

3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide (PubChem CID 10046459) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is 3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide
PubChem CID10046459
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC Name3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide
SMILESNC(=O)CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O
InChIInChI=1S/C23H17N3O4/c24-18(28)8-9-26-16-7-6-13(27)10-15(16)19-17(26)11-14(12-4-2-1-3-5-12)20-21(19)23(30)25-22(20)29/h1-7,10-11,27H,8-9H2,(H2,24,28)(H,25,29,30)
InChIKeyAQGCORFHRDPTIS-UHFFFAOYSA-N
XLogP2.93
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide?
The IUPAC name of 3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide (CID 10046459) is 3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide.
What is the SMILES notation for 3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide?
The canonical SMILES for 3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide is NC(=O)CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O.
What is the InChIKey of 3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide?
The InChIKey is AQGCORFHRDPTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c24-18(28)8-9-26-16-7-6-13(27)10-15(16)19-17(26)11-14(12-4-2-1-3-5-12)20-21(19)23(30)25-22(20)29/h1-7,10-11,27H,8-9H2,(H2,24,28)(H,25,29,30).
What are the key properties of 3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide?
3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide has a molecular weight of 399.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-hydroxy-1,3-dioxo-4-phenylpyrrolo[3,4-c]carbazol-6-yl)propanamide is sourced from PubChem (CID 10046459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).