N-(2-aminoethyl)quinoline-7-carboxamide

C12H13N3O — CID 142187430

IUPACN-(2-aminoethyl)quinoline-7-carboxamide
SMILESNCCNC(=O)c1ccc2cccnc2c1
InChIInChI=1S/C12H13N3O/c13-5-7-15-12(16)10-4-3-9-2-1-6-14-11(9)8-10/h1-4,6,8H,5,7,13H2,(H,15,16)
InChIKeyLXWFAHFSBIDKCY-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.92
Rot. Bonds3

About N-(2-aminoethyl)quinoline-7-carboxamide

N-(2-aminoethyl)quinoline-7-carboxamide (PubChem CID 142187430) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(2-aminoethyl)quinoline-7-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)quinoline-7-carboxamide
PubChem CID142187430
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(2-aminoethyl)quinoline-7-carboxamide
SMILESNCCNC(=O)c1ccc2cccnc2c1
InChIInChI=1S/C12H13N3O/c13-5-7-15-12(16)10-4-3-9-2-1-6-14-11(9)8-10/h1-4,6,8H,5,7,13H2,(H,15,16)
InChIKeyLXWFAHFSBIDKCY-UHFFFAOYSA-N
XLogP0.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide
CID 146077356
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-octylquinoline-6-carboxamide
CID 68863650
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
(4-aminophenyl)-quinolin-7-ylmethanone
CID 116548753
N-(cyclopropylmethyl)-N-[2-(quinoline-7-carbonylamino)ethyl]-1,3-oxazole-5-carboxamide
CID 166373600

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)quinoline-7-carboxamide?
The IUPAC name of N-(2-aminoethyl)quinoline-7-carboxamide (CID 142187430) is N-(2-aminoethyl)quinoline-7-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)quinoline-7-carboxamide?
The canonical SMILES for N-(2-aminoethyl)quinoline-7-carboxamide is NCCNC(=O)c1ccc2cccnc2c1.
What is the InChIKey of N-(2-aminoethyl)quinoline-7-carboxamide?
The InChIKey is LXWFAHFSBIDKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-5-7-15-12(16)10-4-3-9-2-1-6-14-11(9)8-10/h1-4,6,8H,5,7,13H2,(H,15,16).
What are the key properties of N-(2-aminoethyl)quinoline-7-carboxamide?
N-(2-aminoethyl)quinoline-7-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)quinoline-7-carboxamide is sourced from PubChem (CID 142187430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).