N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide

C22H20FN3O2 — CID 46976195

IUPACN-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1cc(CCNC(=O)c2cc(=O)n(C)c3ccccc23)c2cc(F)ccc21
InChIInChI=1S/C22H20FN3O2/c1-25-13-14(17-11-15(23)7-8-19(17)25)9-10-24-22(28)18-12-21(27)26(2)20-6-4-3-5-16(18)20/h3-8,11-13H,9-10H2,1-2H3,(H,24,28)
InChIKeyPPVUDJPWIGYBHE-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.14
Rot. Bonds4

About N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 46976195) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID46976195
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC NameN-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1cc(CCNC(=O)c2cc(=O)n(C)c3ccccc23)c2cc(F)ccc21
InChIInChI=1S/C22H20FN3O2/c1-25-13-14(17-11-15(23)7-8-19(17)25)9-10-24-22(28)18-12-21(27)26(2)20-6-4-3-5-16(18)20/h3-8,11-13H,9-10H2,1-2H3,(H,24,28)
InChIKeyPPVUDJPWIGYBHE-UHFFFAOYSA-N
XLogP3.14
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604
2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide
CID 84579411
2-chloro-N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-5-pyrazol-1-ylbenzamide
CID 46975356
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
7-ethyl-N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 46976512
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide
CID 46974700
N-[(2-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694477
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133154

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 46976195) is N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide is Cn1cc(CCNC(=O)c2cc(=O)n(C)c3ccccc23)c2cc(F)ccc21.
What is the InChIKey of N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is PPVUDJPWIGYBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-25-13-14(17-11-15(23)7-8-19(17)25)9-10-24-22(28)18-12-21(27)26(2)20-6-4-3-5-16(18)20/h3-8,11-13H,9-10H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 46976195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).