N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide

C21H16F3N3O — CID 163321994

IUPACN-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
SMILESCC(C)NC(=O)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12
InChIInChI=1S/C21H16F3N3O/c1-10(2)26-21(28)12-4-3-5-16-11(12)6-7-17(27-16)14-9-25-20-13(14)8-15(22)18(23)19(20)24/h3-10,25H,1-2H3,(H,26,28)
InChIKeyFMNAWYZSFUYYRV-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.94
Rot. Bonds3

About N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide

N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide (PubChem CID 163321994) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
PubChem CID163321994
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC NameN-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
SMILESCC(C)NC(=O)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12
InChIInChI=1S/C21H16F3N3O/c1-10(2)26-21(28)12-4-3-5-16-11(12)6-7-17(27-16)14-9-25-20-13(14)8-15(22)18(23)19(20)24/h3-10,25H,1-2H3,(H,26,28)
InChIKeyFMNAWYZSFUYYRV-UHFFFAOYSA-N
XLogP4.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The IUPAC name of N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide (CID 163321994) is N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide is CC(C)NC(=O)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12.
What is the InChIKey of N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
The InChIKey is FMNAWYZSFUYYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c1-10(2)26-21(28)12-4-3-5-16-11(12)6-7-17(27-16)14-9-25-20-13(14)8-15(22)18(23)19(20)24/h3-10,25H,1-2H3,(H,26,28).
What are the key properties of N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide?
N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide is sourced from PubChem (CID 163321994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).