3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one

C23H28N2O3 — CID 46950053

IUPAC3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one
SMILESCCCc1ccc2[nH]c(=O)c(CNc3ccc(OCC)cc3OCC)cc2c1
InChIInChI=1S/C23H28N2O3/c1-4-7-16-8-10-20-17(12-16)13-18(23(26)25-20)15-24-21-11-9-19(27-5-2)14-22(21)28-6-3/h8-14,24H,4-7,15H2,1-3H3,(H,25,26)
InChIKeyQVMIVCQLVSNVKE-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.89
Rot. Bonds9

About 3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one

3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one (PubChem CID 46950053) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one
PubChem CID46950053
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one
SMILESCCCc1ccc2[nH]c(=O)c(CNc3ccc(OCC)cc3OCC)cc2c1
InChIInChI=1S/C23H28N2O3/c1-4-7-16-8-10-20-17(12-16)13-18(23(26)25-20)15-24-21-11-9-19(27-5-2)14-22(21)28-6-3/h8-14,24H,4-7,15H2,1-3H3,(H,25,26)
InChIKeyQVMIVCQLVSNVKE-UHFFFAOYSA-N
XLogP4.89
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
CID 25318901
3-[(1,3-benzodioxol-5-ylamino)methyl]-6-propyl-1H-quinolin-2-one
CID 95855587
6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3171691
6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 3215146
6-ethyl-3-[(4-phenylmethoxyanilino)methyl]-1H-quinolin-2-one
CID 46950045
3-[[4-(3,5-dimethylpiperidin-1-yl)anilino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 11531553
N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331268
6-ethyl-3-[(3-methoxyanilino)methyl]-1H-quinolin-2-one
CID 25361645
3-butyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
CID 3173942
3-[(2-chloroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 25318984
2-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324772

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one?
The IUPAC name of 3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one (CID 46950053) is 3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one is CCCc1ccc2[nH]c(=O)c(CNc3ccc(OCC)cc3OCC)cc2c1.
What is the InChIKey of 3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one?
The InChIKey is QVMIVCQLVSNVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-4-7-16-8-10-20-17(12-16)13-18(23(26)25-20)15-24-21-11-9-19(27-5-2)14-22(21)28-6-3/h8-14,24H,4-7,15H2,1-3H3,(H,25,26).
What are the key properties of 3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one?
3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one has a molecular weight of 380.49 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-diethoxyanilino)methyl]-6-propyl-1H-quinolin-2-one is sourced from PubChem (CID 46950053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).