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

C19H20FN3O — CID 42750065

IUPACN-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cccn2C)nc2ccc(F)cc12
InChIInChI=1S/C19H20FN3O/c1-4-12(2)21-19(24)15-11-17(18-6-5-9-23(18)3)22-16-8-7-13(20)10-14(15)16/h5-12H,4H2,1-3H3,(H,21,24)
InChIKeyRHVCZRRZBIPSAA-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.91
Rot. Bonds4

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

N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (PubChem CID 42750065) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
PubChem CID42750065
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC NameN-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2cccn2C)nc2ccc(F)cc12
InChIInChI=1S/C19H20FN3O/c1-4-12(2)21-19(24)15-11-17(18-6-5-9-23(18)3)22-16-8-7-13(20)10-14(15)16/h5-12H,4H2,1-3H3,(H,21,24)
InChIKeyRHVCZRRZBIPSAA-UHFFFAOYSA-N
XLogP3.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3959644
6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750100
N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42659190
6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750067
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 4563440
N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3616650
(4-benzylpiperazin-1-yl)-[6-fluoro-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42750082
6-methyl-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749636
[6-fluoro-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42750074
N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749642
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide
CID 7296623

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (CID 42750065) is N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is CCC(C)NC(=O)c1cc(-c2cccn2C)nc2ccc(F)cc12.
What is the InChIKey of N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The InChIKey is RHVCZRRZBIPSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-4-12(2)21-19(24)15-11-17(18-6-5-9-23(18)3)22-16-8-7-13(20)10-14(15)16/h5-12H,4H2,1-3H3,(H,21,24).
What are the key properties of N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 42750065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).