N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide

C20H21N3O2 — CID 109040020

IUPACN-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCNc1cccc2cccnc12
InChIInChI=1S/C20H21N3O2/c1-14-8-9-18(25-2)17(13-14)23-19(24)10-12-21-16-7-3-5-15-6-4-11-22-20(15)16/h3-9,11,13,21H,10,12H2,1-2H3,(H,23,24)
InChIKeyVMXBHDMHIDIUTB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.99
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide

N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide (PubChem CID 109040020) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide
PubChem CID109040020
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCNc1cccc2cccnc12
InChIInChI=1S/C20H21N3O2/c1-14-8-9-18(25-2)17(13-14)23-19(24)10-12-21-16-7-3-5-15-6-4-11-22-20(15)16/h3-9,11,13,21H,10,12H2,1-2H3,(H,23,24)
InChIKeyVMXBHDMHIDIUTB-UHFFFAOYSA-N
XLogP3.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
N-(2-ethoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47882363
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
2-methoxy-N-[3-oxo-3-(quinolin-8-ylamino)propyl]benzamide
CID 38266767
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109042239
N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 26123575
3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 47877564
N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008849
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide (CID 109040020) is N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide is COc1ccc(C)cc1NC(=O)CCNc1cccc2cccnc12.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide?
The InChIKey is VMXBHDMHIDIUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-8-9-18(25-2)17(13-14)23-19(24)10-12-21-16-7-3-5-15-6-4-11-22-20(15)16/h3-9,11,13,21H,10,12H2,1-2H3,(H,23,24).
What are the key properties of N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide?
N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide is sourced from PubChem (CID 109040020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).