N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

C24H31FN4O — CID 3959644

IUPACN-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(-c2cccn2C)nc2ccc(F)cc12
InChIInChI=1S/C24H31FN4O/c1-5-29(6-2)14-7-9-17(3)26-24(30)20-16-22(23-10-8-13-28(23)4)27-21-12-11-18(25)15-19(20)21/h8,10-13,15-17H,5-7,9,14H2,1-4H3,(H,26,30)
InChIKeyAOVSOEIKSZANAN-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.62
Rot. Bonds9

About N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (PubChem CID 3959644) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
PubChem CID3959644
Molecular FormulaC24H31FN4O
Molecular Weight410.54 g/mol
Exact Mass410.25
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(-c2cccn2C)nc2ccc(F)cc12
InChIInChI=1S/C24H31FN4O/c1-5-29(6-2)14-7-9-17(3)26-24(30)20-16-22(23-10-8-13-28(23)4)27-21-12-11-18(25)15-19(20)21/h8,10-13,15-17H,5-7,9,14H2,1-4H3,(H,26,30)
InChIKeyAOVSOEIKSZANAN-UHFFFAOYSA-N
XLogP4.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750065
N-[(2S)-5-(diethylamino)pentan-2-yl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide
CID 7296623
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 42750300
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
N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749811
6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750067
N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3616650
N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3603848
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 4563440
6-methyl-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749636
N-(3-methoxypropyl)-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749642

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (CID 3959644) is N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is CCN(CC)CCCC(C)NC(=O)c1cc(-c2cccn2C)nc2ccc(F)cc12.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The InChIKey is AOVSOEIKSZANAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O/c1-5-29(6-2)14-7-9-17(3)26-24(30)20-16-22(23-10-8-13-28(23)4)27-21-12-11-18(25)15-19(20)21/h8,10-13,15-17H,5-7,9,14H2,1-4H3,(H,26,30).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 3959644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).