3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide

C20H21N3O2 — CID 18131479

IUPAC3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide
SMILESCOc1ccc(N(CCC(N)=O)Cc2cccc3cccnc23)cc1
InChIInChI=1S/C20H21N3O2/c1-25-18-9-7-17(8-10-18)23(13-11-19(21)24)14-16-5-2-4-15-6-3-12-22-20(15)16/h2-10,12H,11,13-14H2,1H3,(H2,21,24)
InChIKeySYCWCUWVGKKDEE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.13
Rot. Bonds7

About 3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide

3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide (PubChem CID 18131479) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide.

Molecular Properties

Compound Name3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide
PubChem CID18131479
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide
SMILESCOc1ccc(N(CCC(N)=O)Cc2cccc3cccnc23)cc1
InChIInChI=1S/C20H21N3O2/c1-25-18-9-7-17(8-10-18)23(13-11-19(21)24)14-16-5-2-4-15-6-3-12-22-20(15)16/h2-10,12H,11,13-14H2,1H3,(H2,21,24)
InChIKeySYCWCUWVGKKDEE-UHFFFAOYSA-N
XLogP3.13
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]anilino]propanamide
CID 16576300
methyl 3-[methyl(quinolin-8-ylmethyl)amino]propanoate
CID 62010696
3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
CID 24561175
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
3-[N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-methoxyanilino]propanamide
CID 16576313
3-[4-methoxy-N-(2-phenylethyl)anilino]propanamide
CID 16576333
1-[4-methoxy-2-(quinolin-8-ylmethoxy)phenyl]ethanone
CID 33079900
3-[N-[2-(2-chlorophenoxy)ethyl]-4-methoxyanilino]propanamide
CID 18124700
3-(4-methoxy-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]anilino)propanamide
CID 17430264
3-[ethyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 54899417
4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide?
The IUPAC name of 3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide (CID 18131479) is 3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide.
What is the SMILES notation for 3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide?
The canonical SMILES for 3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide is COc1ccc(N(CCC(N)=O)Cc2cccc3cccnc23)cc1.
What is the InChIKey of 3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide?
The InChIKey is SYCWCUWVGKKDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-18-9-7-17(8-10-18)23(13-11-19(21)24)14-16-5-2-4-15-6-3-12-22-20(15)16/h2-10,12H,11,13-14H2,1H3,(H2,21,24).
What are the key properties of 3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide?
3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-N-(quinolin-8-ylmethyl)anilino]propanamide is sourced from PubChem (CID 18131479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).