2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide

C24H29N3O4 — CID 67051091

IUPAC2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide
SMILESCCOCC(=O)Nc1cnc2ccc(OCc3ccccc3)cc2c1NCC(C)(C)O
InChIInChI=1S/C24H29N3O4/c1-4-30-15-22(28)27-21-13-25-20-11-10-18(31-14-17-8-6-5-7-9-17)12-19(20)23(21)26-16-24(2,3)29/h5-13,29H,4,14-16H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyHYKQNRKKXSKSLI-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.97
Rot. Bonds10

About 2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide

2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide (PubChem CID 67051091) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide
PubChem CID67051091
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide
SMILESCCOCC(=O)Nc1cnc2ccc(OCc3ccccc3)cc2c1NCC(C)(C)O
InChIInChI=1S/C24H29N3O4/c1-4-30-15-22(28)27-21-13-25-20-11-10-18(31-14-17-8-6-5-7-9-17)12-19(20)23(21)26-16-24(2,3)29/h5-13,29H,4,14-16H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyHYKQNRKKXSKSLI-UHFFFAOYSA-N
XLogP3.97
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide;hydrochloride
CID 67204879
N-[4-(4-chlorobutylamino)quinolin-3-yl]-2-ethoxyacetamide;hydrochloride
CID 68999918
N-(4-aminoquinolin-3-yl)-2-ethoxyacetamide
CID 122650155
[1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate
CID 68971607
1-[2-(ethoxymethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 67051136
N-ethyl-7-phenylmethoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 113232551
3,4-dichloro-6-phenylmethoxyquinoline
CID 114759785
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
2-(3-ethoxyphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 112977838
N-[2-chloro-4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]-2-methoxyacetamide
CID 100990683
N-(3,5-dimethylphenyl)-2-(2-methyl-6-phenylmethoxyquinolin-4-yl)oxyacetamide
CID 155925750
tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
CID 58020516

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide (CID 67051091) is 2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide is CCOCC(=O)Nc1cnc2ccc(OCc3ccccc3)cc2c1NCC(C)(C)O.
What is the InChIKey of 2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide?
The InChIKey is HYKQNRKKXSKSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-4-30-15-22(28)27-21-13-25-20-11-10-18(31-14-17-8-6-5-7-9-17)12-19(20)23(21)26-16-24(2,3)29/h5-13,29H,4,14-16H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide?
2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide has a molecular weight of 423.51 g/mol, XLogP of 3.97, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-[(2-hydroxy-2-methylpropyl)amino]-6-phenylmethoxyquinolin-3-yl]acetamide is sourced from PubChem (CID 67051091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).