N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide

C12H11F2N3O — CID 110490033

IUPACN-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide
SMILESNCCNC(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C12H11F2N3O/c13-9-2-1-7-5-8(12(18)16-4-3-15)6-17-11(7)10(9)14/h1-2,5-6H,3-4,15H2,(H,16,18)
InChIKeyFHHOKHGVDQIMNM-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.20
Rot. Bonds3

About N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide

N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide (PubChem CID 110490033) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide
PubChem CID110490033
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide
SMILESNCCNC(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C12H11F2N3O/c13-9-2-1-7-5-8(12(18)16-4-3-15)6-17-11(7)10(9)14/h1-2,5-6H,3-4,15H2,(H,16,18)
InChIKeyFHHOKHGVDQIMNM-UHFFFAOYSA-N
XLogP1.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide
CID 110490035
7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide
CID 110490043
7,8-difluoro-N-methylquinoline-3-carboxamide
CID 110490026
N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide
CID 110490062
methyl 3-[(8-fluoroquinoline-3-carbonyl)amino]propanoate
CID 110489648
N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide
CID 130550689
N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 169199626
N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide
CID 130421223
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-(7,8-difluoroquinolin-3-yl)acetamide;rhenium
CID 155733605
N-(2-aminoethyl)quinoline-7-carboxamide
CID 142187430

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide (CID 110490033) is N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide is NCCNC(=O)c1cnc2c(F)c(F)ccc2c1.
What is the InChIKey of N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide?
The InChIKey is FHHOKHGVDQIMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-9-2-1-7-5-8(12(18)16-4-3-15)6-17-11(7)10(9)14/h1-2,5-6H,3-4,15H2,(H,16,18).
What are the key properties of N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide?
N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide has a molecular weight of 251.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide is sourced from PubChem (CID 110490033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).