2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide

C21H24N2O3 — CID 87020641

IUPAC2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCCOCc1ccccc1CNC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H24N2O3/c1-2-11-26-14-18-6-4-3-5-17(18)13-22-21(25)16-7-9-19-15(12-16)8-10-20(24)23-19/h3-7,9,12H,2,8,10-11,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyPDZOKRBVQJWINH-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.43
Rot. Bonds7

About 2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide

2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 87020641) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID87020641
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCCCOCc1ccccc1CNC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H24N2O3/c1-2-11-26-14-18-6-4-3-5-17(18)13-22-21(25)16-7-9-19-15(12-16)8-10-20(24)23-19/h3-7,9,12H,2,8,10-11,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyPDZOKRBVQJWINH-UHFFFAOYSA-N
XLogP3.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 172894844
3-methoxy-2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]propanoic acid
CID 102710812
N-[2-(ethylaminomethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119439408
N-(2-hydroxypentyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103770684
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18107678
N-[(3-chlorophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911732
N-[(5-methylfuran-2-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712317
N-(2-methoxyethoxy)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103728105
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46415679
N-[(4-benzylcyclohexyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 58923659
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide (CID 87020641) is 2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide is CCCOCc1ccccc1CNC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is PDZOKRBVQJWINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-11-26-14-18-6-4-3-5-17(18)13-22-21(25)16-7-9-19-15(12-16)8-10-20(24)23-19/h3-7,9,12H,2,8,10-11,13-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[2-(propoxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 87020641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).