N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide

C19H27N3O2 — CID 3213295

IUPACN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCCOc1ccc2nc(NCCNC(=O)C(C)(C)C)c(C)cc2c1
InChIInChI=1S/C19H27N3O2/c1-6-24-15-7-8-16-14(12-15)11-13(2)17(22-16)20-9-10-21-18(23)19(3,4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyLGIHDKVHFAHDNR-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.52
Rot. Bonds6

About N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide

N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 3213295) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide
PubChem CID3213295
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCCOc1ccc2nc(NCCNC(=O)C(C)(C)C)c(C)cc2c1
InChIInChI=1S/C19H27N3O2/c1-6-24-15-7-8-16-14(12-15)11-13(2)17(22-16)20-9-10-21-18(23)19(3,4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyLGIHDKVHFAHDNR-UHFFFAOYSA-N
XLogP3.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.52
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

6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 11417694
7-Ethoxy-1,3-dihydroimidazo[4,5-b]quinolin-2-one
CID 13936989
8-Methoxy-2-piperazin-1-yl-quinoline
CID 22636319
7-[[3-[2-(Dimethylamino)ethyl]phenoxy]methyl]quinolin-2-Amine
CID 91971381
7-[[3-[2-(Methylamino)ethyl]phenoxy]methyl]quinolin-2-Amine
CID 91971382
7-[[3-[(Dimethylamino)methyl]phenoxy]methyl]quinolin-2-Amine
CID 91971383
7-[[3-(Methylaminomethyl)phenoxy]methyl]quinolin-2-Amine
CID 91971384
7-[[3-(Aminomethyl)phenoxy]methyl]quinolin-2-Amine
CID 91971385
4-Methyl-7-({3-[(Methylamino)methyl]phenoxy}methyl)quinolin-2-Amine
CID 124136836
Bmy 43351
CID 5487415
{Cyclohexyl-[4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]quinolin-7-yloxy)-butyryl]-amino}-acetic acid methyl ester
CID 14281006

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide (CID 3213295) is N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide is CCOc1ccc2nc(NCCNC(=O)C(C)(C)C)c(C)cc2c1.
What is the InChIKey of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is LGIHDKVHFAHDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-6-24-15-7-8-16-14(12-15)11-13(2)17(22-16)20-9-10-21-18(23)19(3,4)5/h7-8,11-12H,6,9-10H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 329.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-ethoxy-3-methylquinolin-2-yl)amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3213295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).