ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate

C26H31N3O7 — CID 175053743

IUPACethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(OCCCNC(=O)c3cccc(OCCO)c3OC)c2c1N
InChIInChI=1S/C26H31N3O7/c1-4-34-26(32)21-16(2)29-18-9-6-10-19(22(18)23(21)27)35-14-7-12-28-25(31)17-8-5-11-20(24(17)33-3)36-15-13-30/h5-6,8-11,30H,4,7,12-15H2,1-3H3,(H2,27,29)(H,28,31)
InChIKeyCEJDKUUSPUPQHC-UHFFFAOYSA-N
MW497.55 g/mol
LogP2.88
Rot. Bonds12

About ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate

ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate (PubChem CID 175053743) has the molecular formula C26H31N3O7 and a molecular weight of 497.55 g/mol. Its IUPAC name is ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate
PubChem CID175053743
Molecular FormulaC26H31N3O7
Molecular Weight497.55 g/mol
Exact Mass497.22
IUPAC Nameethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2cccc(OCCCNC(=O)c3cccc(OCCO)c3OC)c2c1N
InChIInChI=1S/C26H31N3O7/c1-4-34-26(32)21-16(2)29-18-9-6-10-19(22(18)23(21)27)35-14-7-12-28-25(31)17-8-5-11-20(24(17)33-3)36-15-13-30/h5-6,8-11,30H,4,7,12-15H2,1-3H3,(H2,27,29)(H,28,31)
InChIKeyCEJDKUUSPUPQHC-UHFFFAOYSA-N
XLogP2.88
TPSA142.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-5-(2,2-dimethylpropoxy)-2-methylquinoline-3-carboxylate
CID 66745763
ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate
CID 66746516
3-(4-amino-3-ethoxycarbonyl-2-methylquinolin-5-yl)oxy-2,2-dimethylpropanoic acid;ethyl 4-amino-5-[3-(ethylamino)-2,2-dimethyl-3-oxopropoxy]-2-methylquinoline-3-carboxylate
CID 159969175
ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate
CID 11780400
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121
ethyl 4-amino-5-[(2S)-2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)-3-methylbutoxy]-2-methylquinoline-3-carboxylate
CID 86658227
3-amino-N-(5-hydroxypentyl)-2-methoxybenzamide
CID 107316263
4-amino-5-[2-[[3-(2-hydroxyethoxy)-5-methoxybenzoyl]amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 54588614
4-amino-5-[(2S)-2-[[3-(3-hydroxypropoxy)-4-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylic acid
CID 66746126
4-amino-5-[2-[3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-1H-indol-2-yl]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
CID 150079255
N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
CID 18170636

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate (CID 175053743) is ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate is CCOC(=O)c1c(C)nc2cccc(OCCCNC(=O)c3cccc(OCCO)c3OC)c2c1N.
What is the InChIKey of ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate?
The InChIKey is CEJDKUUSPUPQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O7/c1-4-34-26(32)21-16(2)29-18-9-6-10-19(22(18)23(21)27)35-14-7-12-28-25(31)17-8-5-11-20(24(17)33-3)36-15-13-30/h5-6,8-11,30H,4,7,12-15H2,1-3H3,(H2,27,29)(H,28,31).
What are the key properties of ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate?
ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate has a molecular weight of 497.55 g/mol, XLogP of 2.88, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-[3-[[3-(2-hydroxyethoxy)-2-methoxybenzoyl]amino]propoxy]-2-methylquinoline-3-carboxylate is sourced from PubChem (CID 175053743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).