N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide

C25H30ClN3O4 — CID 90600175

IUPACN-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
SMILESCOC(C)(CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2)c1cccc(Cl)c1
InChIInChI=1S/C25H30ClN3O4/c1-16(2)24(32)29-12-6-7-17-10-11-20(14-21(17)29)28-23(31)22(30)27-15-25(3,33-4)18-8-5-9-19(26)13-18/h5,8-11,13-14,16H,6-7,12,15H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyAAEYBADADDKQHJ-UHFFFAOYSA-N
MW471.99 g/mol
LogP3.89
Rot. Bonds6

About N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide

N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide (PubChem CID 90600175) has the molecular formula C25H30ClN3O4 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
PubChem CID90600175
Molecular FormulaC25H30ClN3O4
Molecular Weight471.99 g/mol
Exact Mass471.19
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
SMILESCOC(C)(CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2)c1cccc(Cl)c1
InChIInChI=1S/C25H30ClN3O4/c1-16(2)24(32)29-12-6-7-17-10-11-20(14-21(17)29)28-23(31)22(30)27-15-25(3,33-4)18-8-5-9-19(26)13-18/h5,8-11,13-14,16H,6-7,12,15H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyAAEYBADADDKQHJ-UHFFFAOYSA-N
XLogP3.89
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 90599391
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688029
N-[(2-chlorophenyl)methyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688053
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600155
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
CID 7688050
dimethyl-[2-[[2-[[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]amino]-2-oxoacetyl]amino]ethyl]azanium
CID 7688017
methyl N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 7517544
N-cyclopropyl-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688051
1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea
CID 30372089
N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 90600151
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109702

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide (CID 90600175) is N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide is COC(C)(CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide?
The InChIKey is AAEYBADADDKQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O4/c1-16(2)24(32)29-12-6-7-17-10-11-20(14-21(17)29)28-23(31)22(30)27-15-25(3,33-4)18-8-5-9-19(26)13-18/h5,8-11,13-14,16H,6-7,12,15H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide?
N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide has a molecular weight of 471.99 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide is sourced from PubChem (CID 90600175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).