N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide

C23H27N3O5 — CID 70343441

IUPACN-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCC(OC)OC)c3ccccc3n2)c(C(C)O)c1
InChIInChI=1S/C23H27N3O5/c1-14(27)17-11-15(29-2)9-10-20(17)26-21-12-18(16-7-5-6-8-19(16)25-21)23(28)24-13-22(30-3)31-4/h5-12,14,22,27H,13H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyGKZHAJOILJWUSJ-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.39
Rot. Bonds9

About N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide

N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide (PubChem CID 70343441) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide
PubChem CID70343441
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCC(OC)OC)c3ccccc3n2)c(C(C)O)c1
InChIInChI=1S/C23H27N3O5/c1-14(27)17-11-15(29-2)9-10-20(17)26-21-12-18(16-7-5-6-8-19(16)25-21)23(28)24-13-22(30-3)31-4/h5-12,14,22,27H,13H2,1-4H3,(H,24,28)(H,25,26)
InChIKeyGKZHAJOILJWUSJ-UHFFFAOYSA-N
XLogP3.39
TPSA101.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 46253310
2-(2,4-dimethoxyanilino)quinoline-4-carboxylate
CID 5070932
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(2,4-dimethoxyanilino)quinoline-4-carboxamide
CID 15990816
N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854379
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
2-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 126458298
2-(2-chlorophenyl)sulfanyl-N-(2,2-dimethoxyethyl)quinoline-4-carboxamide
CID 4249988
2-(2,5-dimethoxyanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 122175007
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 20854390
N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide
CID 14892420
N-[3-[bis(2-methylpropyl)amino]propyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 122175018
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854384

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide (CID 70343441) is N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide is COc1ccc(Nc2cc(C(=O)NCC(OC)OC)c3ccccc3n2)c(C(C)O)c1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide?
The InChIKey is GKZHAJOILJWUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-14(27)17-11-15(29-2)9-10-20(17)26-21-12-18(16-7-5-6-8-19(16)25-21)23(28)24-13-22(30-3)31-4/h5-12,14,22,27H,13H2,1-4H3,(H,24,28)(H,25,26).
What are the key properties of N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide?
N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-[2-(1-hydroxyethyl)-4-methoxyanilino]quinoline-4-carboxamide is sourced from PubChem (CID 70343441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).