N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide

C20H28FN3O — CID 42750300

IUPACN-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(C)nc2ccc(F)cc12
InChIInChI=1S/C20H28FN3O/c1-5-24(6-2)11-7-8-14(3)23-20(25)18-12-15(4)22-19-10-9-16(21)13-17(18)19/h9-10,12-14H,5-8,11H2,1-4H3,(H,23,25)
InChIKeyZYSKQRBYWCSDAU-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.92
Rot. Bonds8

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

N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 42750300) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide
PubChem CID42750300
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(C)nc2ccc(F)cc12
InChIInChI=1S/C20H28FN3O/c1-5-24(6-2)11-7-8-14(3)23-20(25)18-12-15(4)22-19-10-9-16(21)13-17(18)19/h9-10,12-14H,5-8,11H2,1-4H3,(H,23,25)
InChIKeyZYSKQRBYWCSDAU-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3959644
N-[5-(diethylamino)pentan-2-yl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749811
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid
CID 108789630
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 7237810
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
5-(diethylamino)pentan-2-yl-(7-fluoroquinolin-4-yl)carbamic acid
CID 67124691
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
1-N,1-N-diethyl-4-N-(2-methylquinolin-4-yl)pentane-1,4-diamine
CID 112810281

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide (CID 42750300) is N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide is CCN(CC)CCCC(C)NC(=O)c1cc(C)nc2ccc(F)cc12.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is ZYSKQRBYWCSDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-5-24(6-2)11-7-8-14(3)23-20(25)18-12-15(4)22-19-10-9-16(21)13-17(18)19/h9-10,12-14H,5-8,11H2,1-4H3,(H,23,25).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 345.46 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 42750300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).