6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

C20H22FN3O — CID 42750100

IUPAC6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2cccn2C)nc2ccc(F)cc12
InChIInChI=1S/C20H22FN3O/c1-13(2)8-9-22-20(25)16-12-18(19-5-4-10-24(19)3)23-17-7-6-14(21)11-15(16)17/h4-7,10-13H,8-9H2,1-3H3,(H,22,25)
InChIKeyDDWWOOKVDWRTJS-UHFFFAOYSA-N
MW339.41 g/mol
LogP4.16
Rot. Bonds5

About 6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (PubChem CID 42750100) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
PubChem CID42750100
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2cccn2C)nc2ccc(F)cc12
InChIInChI=1S/C20H22FN3O/c1-13(2)8-9-22-20(25)16-12-18(19-5-4-10-24(19)3)23-17-7-6-14(21)11-15(16)17/h4-7,10-13H,8-9H2,1-3H3,(H,22,25)
InChIKeyDDWWOOKVDWRTJS-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749636
N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750065
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 4563440
6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750067
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3959644
N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42659190
N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749642
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide
CID 42750116
(4-benzylpiperazin-1-yl)-[6-fluoro-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42750082
N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3616650
2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 42749977

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (CID 42750100) is 6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is CC(C)CCNC(=O)c1cc(-c2cccn2C)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The InChIKey is DDWWOOKVDWRTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-13(2)8-9-22-20(25)16-12-18(19-5-4-10-24(19)3)23-17-7-6-14(21)11-15(16)17/h4-7,10-13H,8-9H2,1-3H3,(H,22,25).
What are the key properties of 6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide has a molecular weight of 339.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 42750100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).