N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide

C21H22N4O3 — CID 7657138

IUPACN'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C21H22N4O3/c26-19(23-13-14-7-9-22-10-8-14)20(27)24-17-5-6-18-16(12-17)2-1-11-25(18)21(28)15-3-4-15/h5-10,12,15H,1-4,11,13H2,(H,23,26)(H,24,27)
InChIKeyRDLCPGFLMBEYFB-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.03
Rot. Bonds4

About N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide

N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 7657138) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide
PubChem CID7657138
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide
SMILESO=C(NCc1ccncc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C21H22N4O3/c26-19(23-13-14-7-9-22-10-8-14)20(27)24-17-5-6-18-16(12-17)2-1-11-25(18)21(28)15-3-4-15/h5-10,12,15H,1-4,11,13H2,(H,23,26)(H,24,27)
InChIKeyRDLCPGFLMBEYFB-UHFFFAOYSA-N
XLogP2.03
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.03
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'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(2-methylpropyl)oxamide
CID 7657185
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 7586339
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 7656803
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 7656487
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7586576
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
CID 110623188
N-benzyl-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658096
[6-(2-bromoethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82259205
[6-(2-chloroethyl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 82260536
N'-(4-iodophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 47224625
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-(3-methylphenyl)oxamide
CID 7586652
N'-[4-(cyclohexylcarbamoyl)phenyl]-N-(pyridin-4-ylmethyl)oxamide
CID 47634027

Frequently Asked Questions

What is the IUPAC name of N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide (CID 7657138) is N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide is O=C(NCc1ccncc1)C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1.
What is the InChIKey of N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is RDLCPGFLMBEYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-19(23-13-14-7-9-22-10-8-14)20(27)24-17-5-6-18-16(12-17)2-1-11-25(18)21(28)15-3-4-15/h5-10,12,15H,1-4,11,13H2,(H,23,26)(H,24,27).
What are the key properties of N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide?
N'-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 378.43 g/mol, XLogP of 2.03, 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-6-yl]-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 7657138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).