N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide

C14H16FN3O — CID 110464430

IUPACN-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2cc(F)ccc2n1
InChIInChI=1S/C14H16FN3O/c1-18(2)8-7-16-14(19)13-5-3-10-9-11(15)4-6-12(10)17-13/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyNWNSZHGJQPUDQD-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.67
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide

N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide (PubChem CID 110464430) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide
PubChem CID110464430
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2cc(F)ccc2n1
InChIInChI=1S/C14H16FN3O/c1-18(2)8-7-16-14(19)13-5-3-10-9-11(15)4-6-12(10)17-13/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyNWNSZHGJQPUDQD-UHFFFAOYSA-N
XLogP1.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-pentylquinoline-2-carboxamide
CID 110486389
methyl 2-[(6-fluoroquinoline-2-carbonyl)amino]acetate
CID 110464431
6-fluoro-N-methyl-N-phenylquinoline-2-carboxamide
CID 110464478
6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
CID 110464446
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
2-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325164
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide
CID 59228679
N-[2-(diethylamino)ethyl]-6-(125I)iodoquinoline-2-carboxamide;dihydrochloride
CID 24879197
7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide
CID 110485346
6-fluoro-N-(oxolan-2-ylmethyl)quinoline-2-carboxamide
CID 110464461
N-[2-(dipropylamino)ethyl]-6-iodoquinoline-2-carboxamide;dihydrochloride
CID 157235603

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide (CID 110464430) is N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide is CN(C)CCNC(=O)c1ccc2cc(F)ccc2n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide?
The InChIKey is NWNSZHGJQPUDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-18(2)8-7-16-14(19)13-5-3-10-9-11(15)4-6-12(10)17-13/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide?
N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide is sourced from PubChem (CID 110464430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).