N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide

C20H25N3O4 — CID 7586576

IUPACN'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2
InChIInChI=1S/C20H25N3O4/c24-18(21-12-16-4-2-10-27-16)19(25)22-15-8-7-13-3-1-9-23(17(13)11-15)20(26)14-5-6-14/h7-8,11,14,16H,1-6,9-10,12H2,(H,21,24)(H,22,25)/t16-/m1/s1
InChIKeyIPKZKRFXLKDZQG-MRXNPFEDSA-N
MW371.44 g/mol
LogP1.61
Rot. Bonds4

About N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide

N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide (PubChem CID 7586576) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
PubChem CID7586576
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2
InChIInChI=1S/C20H25N3O4/c24-18(21-12-16-4-2-10-27-16)19(25)22-15-8-7-13-3-1-9-23(17(13)11-15)20(26)14-5-6-14/h7-8,11,14,16H,1-6,9-10,12H2,(H,21,24)(H,22,25)/t16-/m1/s1
InChIKeyIPKZKRFXLKDZQG-MRXNPFEDSA-N
XLogP1.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide with MolForge

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Related Compounds

N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7688075
N-[[(2R)-oxolan-2-yl]methyl]-N'-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 41192837
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3-(oxolan-2-ylmethyl)urea
CID 91812701
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N'-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 2037808
1-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-(oxan-4-yl)urea
CID 110623344
5-bromo-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]furan-2-carboxamide
CID 7586241
N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 2274084
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide
CID 7657185

Frequently Asked Questions

What is the IUPAC name of N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide (CID 7586576) is N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide is O=C(NC[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2.
What is the InChIKey of N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
The InChIKey is IPKZKRFXLKDZQG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O4/c24-18(21-12-16-4-2-10-27-16)19(25)22-15-8-7-13-3-1-9-23(17(13)11-15)20(26)14-5-6-14/h7-8,11,14,16H,1-6,9-10,12H2,(H,21,24)(H,22,25)/t16-/m1/s1.
What are the key properties of N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide?
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide has a molecular weight of 371.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 7586576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).