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

C19H27N3O5 — CID 7688029

IUPACN-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2)OC
InChIInChI=1S/C19H27N3O5/c1-12(2)19(25)22-9-5-6-13-7-8-14(10-15(13)22)21-18(24)17(23)20-11-16(26-3)27-4/h7-8,10,12,16H,5-6,9,11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyKOUHFWYYMWUQDK-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.30
Rot. Bonds6

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

N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide (PubChem CID 7688029) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
PubChem CID7688029
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC NameN-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2)OC
InChIInChI=1S/C19H27N3O5/c1-12(2)19(25)22-9-5-6-13-7-8-14(10-15(13)22)21-18(24)17(23)20-11-16(26-3)27-4/h7-8,10,12,16H,5-6,9,11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyKOUHFWYYMWUQDK-UHFFFAOYSA-N
XLogP1.30
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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-[(2-chlorophenyl)methyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688053
N-cyclopropyl-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688051
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 90599391
N-[2-(3-chlorophenyl)-2-methoxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 90600175
N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 97106465
N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109702
N-(2,2-diethoxyethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7688082
2-(2-methoxyphenoxy)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]acetamide
CID 7517535
1-[(4-chlorophenyl)methyl]-3-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]urea
CID 30372089

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide (CID 7688029) is N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide is COC(CNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide?
The InChIKey is KOUHFWYYMWUQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-12(2)19(25)22-9-5-6-13-7-8-14(10-15(13)22)21-18(24)17(23)20-11-16(26-3)27-4/h7-8,10,12,16H,5-6,9,11H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide?
N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide has a molecular weight of 377.44 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide is sourced from PubChem (CID 7688029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).