N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C22H25N3O3 — CID 48526400

IUPACN-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCN1CCCc2cc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)ccc21
InChIInChI=1S/C22H25N3O3/c1-25-11-3-4-16-12-18(9-10-20(16)25)23-21(26)14-28-19-6-2-5-17(13-19)24-22(27)15-7-8-15/h2,5-6,9-10,12-13,15H,3-4,7-8,11,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyZNYOIXWNYZTQDS-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.43
Rot. Bonds6

About N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 48526400) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID48526400
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCN1CCCc2cc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)ccc21
InChIInChI=1S/C22H25N3O3/c1-25-11-3-4-16-12-18(9-10-20(16)25)23-21(26)14-28-19-6-2-5-17(13-19)24-22(27)15-7-8-15/h2,5-6,9-10,12-13,15H,3-4,7-8,11,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyZNYOIXWNYZTQDS-UHFFFAOYSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55900938
N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39505500
N-[3-[2-(3-amino-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119420224
2-(3-methoxyphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498766
2-(3-methylphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498760
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-(3,5-difluoro-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 87031657
N-[3-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55677177
N-[3-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46546603
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 7586187
N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)cyclobutanecarboxamide
CID 110729129

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 48526400) is N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is CN1CCCc2cc(NC(=O)COc3cccc(NC(=O)C4CC4)c3)ccc21.
What is the InChIKey of N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is ZNYOIXWNYZTQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-25-11-3-4-16-12-18(9-10-20(16)25)23-21(26)14-28-19-6-2-5-17(13-19)24-22(27)15-7-8-15/h2,5-6,9-10,12-13,15H,3-4,7-8,11,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 48526400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).