1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide

C23H21N3O2 — CID 75489945

IUPAC1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NC2CCCc3c2[nH]c2ccccc32)c2ccccc21
InChIInChI=1S/C23H21N3O2/c1-26-20-12-5-3-8-15(20)17(13-21(26)27)23(28)25-19-11-6-9-16-14-7-2-4-10-18(14)24-22(16)19/h2-5,7-8,10,12-13,19,24H,6,9,11H2,1H3,(H,25,28)
InChIKeyNTDFODQYKQSXEV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.83
Rot. Bonds2

About 1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide

1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide (PubChem CID 75489945) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide
PubChem CID75489945
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)NC2CCCc3c2[nH]c2ccccc32)c2ccccc21
InChIInChI=1S/C23H21N3O2/c1-26-20-12-5-3-8-15(20)17(13-21(26)27)23(28)25-19-11-6-9-16-14-7-2-4-10-18(14)24-22(16)19/h2-5,7-8,10,12-13,19,24H,6,9,11H2,1H3,(H,25,28)
InChIKeyNTDFODQYKQSXEV-UHFFFAOYSA-N
XLogP3.83
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide (CID 75489945) is 1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide is Cn1c(=O)cc(C(=O)NC2CCCc3c2[nH]c2ccccc32)c2ccccc21.
What is the InChIKey of 1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide?
The InChIKey is NTDFODQYKQSXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-26-20-12-5-3-8-15(20)17(13-21(26)27)23(28)25-19-11-6-9-16-14-7-2-4-10-18(14)24-22(16)19/h2-5,7-8,10,12-13,19,24H,6,9,11H2,1H3,(H,25,28).
What are the key properties of 1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide?
1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 75489945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).