4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide

C16H21N3O2 — CID 63375414

IUPAC4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide
SMILESCCCCOCCNC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C16H21N3O2/c1-2-3-9-21-10-8-18-16(20)15-11-13(17)12-6-4-5-7-14(12)19-15/h4-7,11H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyKGLHKHFPALDINE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.36
Rot. Bonds7

About 4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide

4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide (PubChem CID 63375414) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide
PubChem CID63375414
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide
SMILESCCCCOCCNC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C16H21N3O2/c1-2-3-9-21-10-8-18-16(20)15-11-13(17)12-6-4-5-7-14(12)19-15/h4-7,11H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyKGLHKHFPALDINE-UHFFFAOYSA-N
XLogP2.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]quinoline-2-carboxamide
CID 63375694
1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide
CID 62160545
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
N-(2-ethoxyethyl)-4-(ethylamino)quinoline-2-carboxamide
CID 63377460
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
2-amino-N-[2-(2-methoxyethoxy)ethyl]quinoline-4-carboxamide
CID 62160032
4-bromo-N-pentylquinoline-2-carboxamide
CID 178088871
1-amino-N-(2-butoxyethyl)isoquinoline-4-carboxamide
CID 106771455
1-(4-aminoquinolin-2-yl)nonan-1-one
CID 116603523
N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide
CID 114219515

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide (CID 63375414) is 4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide is CCCCOCCNC(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide?
The InChIKey is KGLHKHFPALDINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-3-9-21-10-8-18-16(20)15-11-13(17)12-6-4-5-7-14(12)19-15/h4-7,11H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide?
4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-butoxyethyl)quinoline-2-carboxamide is sourced from PubChem (CID 63375414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).