4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide

C20H21N3O3 — CID 50877965

IUPAC4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
SMILESCCOc1cc2nccc(Nc3ccc(C(N)=O)cc3)c2cc1OCC
InChIInChI=1S/C20H21N3O3/c1-3-25-18-11-15-16(9-10-22-17(15)12-19(18)26-4-2)23-14-7-5-13(6-8-14)20(21)24/h5-12H,3-4H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyFLPKLVJIXOFNEJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.87
Rot. Bonds7

About 4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide

4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide (PubChem CID 50877965) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
PubChem CID50877965
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
SMILESCCOc1cc2nccc(Nc3ccc(C(N)=O)cc3)c2cc1OCC
InChIInChI=1S/C20H21N3O3/c1-3-25-18-11-15-16(9-10-22-17(15)12-19(18)26-4-2)23-14-7-5-13(6-8-14)20(21)24/h5-12H,3-4H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyFLPKLVJIXOFNEJ-UHFFFAOYSA-N
XLogP3.87
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
CID 50877941
6,7-diethoxy-N-methylquinolin-4-amine
CID 62192228
6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 50877956
4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487281
ethyl 4-[(6-fluoroquinolin-4-yl)amino]benzoate
CID 39850527
methyl 4-[(7-ethoxyquinolin-4-yl)amino]benzoate
CID 66487273
N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 22732263
7-methoxy-4-(4-pyrazol-1-ylanilino)quinoline-6-carboxamide
CID 166521152
N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
CID 44532199
4-[(8-fluoroquinolin-4-yl)amino]benzamide
CID 43833030
3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487427
trans-(1S,2S)-2-[(6,7-diethoxyquinolin-4-yl)amino]cyclohexan-1-ol
CID 133495450

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide?
The IUPAC name of 4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide (CID 50877965) is 4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide.
What is the SMILES notation for 4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide?
The canonical SMILES for 4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide is CCOc1cc2nccc(Nc3ccc(C(N)=O)cc3)c2cc1OCC.
What is the InChIKey of 4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide?
The InChIKey is FLPKLVJIXOFNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-25-18-11-15-16(9-10-22-17(15)12-19(18)26-4-2)23-14-7-5-13(6-8-14)20(21)24/h5-12H,3-4H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide?
4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide is sourced from PubChem (CID 50877965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).