N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide

C19H18BrN3O — CID 109042239

IUPACN-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide
SMILESCc1cc(NC(=O)CCNc2cccc3cccnc23)ccc1Br
InChIInChI=1S/C19H18BrN3O/c1-13-12-15(7-8-16(13)20)23-18(24)9-11-21-17-6-2-4-14-5-3-10-22-19(14)17/h2-8,10,12,21H,9,11H2,1H3,(H,23,24)
InChIKeyNCZODYINLGCZGV-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.75
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide

N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide (PubChem CID 109042239) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide
PubChem CID109042239
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide
SMILESCc1cc(NC(=O)CCNc2cccc3cccnc23)ccc1Br
InChIInChI=1S/C19H18BrN3O/c1-13-12-15(7-8-16(13)20)23-18(24)9-11-21-17-6-2-4-14-5-3-10-22-19(14)17/h2-8,10,12,21H,9,11H2,1H3,(H,23,24)
InChIKeyNCZODYINLGCZGV-UHFFFAOYSA-N
XLogP4.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109042005
3-(2-bromoanilino)-N-(3,4-dimethylphenyl)propanamide
CID 109035478
3-(4-bromo-3-methylanilino)-N-(3-fluorophenyl)propanamide
CID 109042030
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038475
N-(2-methoxy-5-methylphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109040020
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
N-(3-bromo-4-methylphenyl)-3-(2-methylanilino)propanamide
CID 109034087
3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035823
N-(4-bromo-3-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109042249
N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008347
N-(2-bromophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010779
3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide
CID 109042389

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide (CID 109042239) is N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide is Cc1cc(NC(=O)CCNc2cccc3cccnc23)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide?
The InChIKey is NCZODYINLGCZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-13-12-15(7-8-16(13)20)23-18(24)9-11-21-17-6-2-4-14-5-3-10-22-19(14)17/h2-8,10,12,21H,9,11H2,1H3,(H,23,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide?
N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide has a molecular weight of 384.28 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(quinolin-8-ylamino)propanamide is sourced from PubChem (CID 109042239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).