2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide

C24H21N3O2 — CID 112989310

IUPAC2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cccc4cccnc34)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-29-21-13-7-17(8-14-21)16-23(28)27-20-11-9-19(10-12-20)26-22-6-2-4-18-5-3-15-25-24(18)22/h2-15,26H,16H2,1H3,(H,27,28)
InChIKeyROLUKAUBFCRHCD-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.17
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide

2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide (PubChem CID 112989310) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
PubChem CID112989310
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3cccc4cccnc34)cc2)cc1
InChIInChI=1S/C24H21N3O2/c1-29-21-13-7-17(8-14-21)16-23(28)27-20-11-9-19(10-12-20)26-22-6-2-4-18-5-3-15-25-24(18)22/h2-15,26H,16H2,1H3,(H,27,28)
InChIKeyROLUKAUBFCRHCD-UHFFFAOYSA-N
XLogP5.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-(quinolin-8-ylamino)phenyl]carbamate
CID 112989327
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
CID 51552903
3-methyl-N-[4-(quinolin-8-ylamino)phenyl]butanamide
CID 112989286
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
CID 110437464
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241
2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
CID 113050401
4-(4-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221716
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide (CID 112989310) is 2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3cccc4cccnc34)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide?
The InChIKey is ROLUKAUBFCRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-29-21-13-7-17(8-14-21)16-23(28)27-20-11-9-19(10-12-20)26-22-6-2-4-18-5-3-15-25-24(18)22/h2-15,26H,16H2,1H3,(H,27,28).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide?
2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide is sourced from PubChem (CID 112989310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).