N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide

C20H16FN3O — CID 166339302

IUPACN-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3c[nH]c4ccc(F)cc34)ccc2n1
InChIInChI=1S/C20H16FN3O/c1-12-2-3-13-8-14(4-6-18(13)24-12)20(25)23-11-15-10-22-19-7-5-16(21)9-17(15)19/h2-10,22H,11H2,1H3,(H,23,25)
InChIKeyOUCCEYOZZOIXOJ-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.09
Rot. Bonds3

About N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide

N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide (PubChem CID 166339302) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide
PubChem CID166339302
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC NameN-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide
SMILESCc1ccc2cc(C(=O)NCc3c[nH]c4ccc(F)cc34)ccc2n1
InChIInChI=1S/C20H16FN3O/c1-12-2-3-13-8-14(4-6-18(13)24-12)20(25)23-11-15-10-22-19-7-5-16(21)9-17(15)19/h2-10,22H,11H2,1H3,(H,23,25)
InChIKeyOUCCEYOZZOIXOJ-UHFFFAOYSA-N
XLogP4.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dihydroxyphenyl)methyl]-2-methylquinoline-6-carboxamide
CID 86783878
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594
3-fluoro-N-[2-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-4-methylbenzamide
CID 111972084
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
1-(1-cyclopropyl-5-methylpyrazol-3-yl)-3-[(5-fluoro-1H-indol-3-yl)methyl]urea
CID 167949731
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide
CID 67974203
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 3434027
N-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 167876967

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide?
The IUPAC name of N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide (CID 166339302) is N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide is Cc1ccc2cc(C(=O)NCc3c[nH]c4ccc(F)cc34)ccc2n1.
What is the InChIKey of N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide?
The InChIKey is OUCCEYOZZOIXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-12-2-3-13-8-14(4-6-18(13)24-12)20(25)23-11-15-10-22-19-7-5-16(21)9-17(15)19/h2-10,22H,11H2,1H3,(H,23,25).
What are the key properties of N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide?
N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 166339302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).