3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide

C22H26N2O4 — CID 60516922

IUPAC3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NC(C)c2ccc3c(c2)CCC(=O)N3)cc1OCC
InChIInChI=1S/C22H26N2O4/c1-4-27-19-10-7-17(13-20(19)28-5-2)22(26)23-14(3)15-6-9-18-16(12-15)8-11-21(25)24-18/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVWYKXNDPDDYFAG-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.86
Rot. Bonds7

About 3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide

3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide (PubChem CID 60516922) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
PubChem CID60516922
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NC(C)c2ccc3c(c2)CCC(=O)N3)cc1OCC
InChIInChI=1S/C22H26N2O4/c1-4-27-19-10-7-17(13-20(19)28-5-2)22(26)23-14(3)15-6-9-18-16(12-15)8-11-21(25)24-18/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyVWYKXNDPDDYFAG-UHFFFAOYSA-N
XLogP3.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705940
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18114889
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18143617
2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid
CID 119180338
4-ethoxy-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190984
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
(Z)-2-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pent-2-enamide
CID 94827781
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-(1-naphthalen-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911762

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide (CID 60516922) is 3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide is CCOc1ccc(C(=O)NC(C)c2ccc3c(c2)CCC(=O)N3)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide?
The InChIKey is VWYKXNDPDDYFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-27-19-10-7-17(13-20(19)28-5-2)22(26)23-14(3)15-6-9-18-16(12-15)8-11-21(25)24-18/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide?
3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]benzamide is sourced from PubChem (CID 60516922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).