N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide

C25H23N3O2 — CID 109042005

IUPACN-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide
SMILESO=C(CCNc1cccc2cccnc12)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H23N3O2/c29-24(15-17-26-23-10-4-8-20-9-5-16-27-25(20)23)28-21-11-13-22(14-12-21)30-18-19-6-2-1-3-7-19/h1-14,16,26H,15,17-18H2,(H,28,29)
InChIKeyLAIZIDVTACYHIM-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.25
Rot. Bonds8

About N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide

N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide (PubChem CID 109042005) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide
PubChem CID109042005
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide
SMILESO=C(CCNc1cccc2cccnc12)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H23N3O2/c29-24(15-17-26-23-10-4-8-20-9-5-16-27-25(20)23)28-21-11-13-22(14-12-21)30-18-19-6-2-1-3-7-19/h1-14,16,26H,15,17-18H2,(H,28,29)
InChIKeyLAIZIDVTACYHIM-UHFFFAOYSA-N
XLogP5.25
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
CID 108992618
2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
CID 109010747
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
3-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109042006
3-(3-chloroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109038069
N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109042239
N-(4-acetylphenyl)-3-(4-phenylmethoxyanilino)propanamide
CID 109041002
3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 109042013
4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3896580
3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 143395384
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide (CID 109042005) is N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide is O=C(CCNc1cccc2cccnc12)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide?
The InChIKey is LAIZIDVTACYHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-24(15-17-26-23-10-4-8-20-9-5-16-27-25(20)23)28-21-11-13-22(14-12-21)30-18-19-6-2-1-3-7-19/h1-14,16,26H,15,17-18H2,(H,28,29).
What are the key properties of N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide?
N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide has a molecular weight of 397.48 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide is sourced from PubChem (CID 109042005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).