7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide

C25H23N3O4 — CID 130362302

IUPAC7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(O)CO)ccc4c23)c1C
InChIInChI=1S/C25H23N3O4/c1-3-22(31)27-19-6-4-5-15(13(19)2)16-9-10-18(25(26)32)24-23(16)17-8-7-14(21(30)12-29)11-20(17)28-24/h3-11,21,28-30H,1,12H2,2H3,(H2,26,32)(H,27,31)
InChIKeyGZLSZGDINLJTBL-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.55
Rot. Bonds6

About 7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide

7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide (PubChem CID 130362302) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide
PubChem CID130362302
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide
SMILESC=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(O)CO)ccc4c23)c1C
InChIInChI=1S/C25H23N3O4/c1-3-22(31)27-19-6-4-5-15(13(19)2)16-9-10-18(25(26)32)24-23(16)17-8-7-14(21(30)12-29)11-20(17)28-24/h3-11,21,28-30H,1,12H2,2H3,(H2,26,32)(H,27,31)
InChIKeyGZLSZGDINLJTBL-UHFFFAOYSA-N
XLogP3.55
TPSA128.44 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide?
The IUPAC name of 7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide (CID 130362302) is 7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide is C=CC(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(O)CO)ccc4c23)c1C.
What is the InChIKey of 7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide?
The InChIKey is GZLSZGDINLJTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-3-22(31)27-19-6-4-5-15(13(19)2)16-9-10-18(25(26)32)24-23(16)17-8-7-14(21(30)12-29)11-20(17)28-24/h3-11,21,28-30H,1,12H2,2H3,(H2,26,32)(H,27,31).
What are the key properties of 7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide?
7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.55, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2-dihydroxyethyl)-4-[2-methyl-3-(prop-2-enoylamino)phenyl]-9H-carbazole-1-carboxamide is sourced from PubChem (CID 130362302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).