3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide

C13H14BrN3O — CID 112618609

IUPAC3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide
SMILESCNC(CC(N)=O)c1ccc(Br)c2cccnc12
InChIInChI=1S/C13H14BrN3O/c1-16-11(7-12(15)18)9-4-5-10(14)8-3-2-6-17-13(8)9/h2-6,11,16H,7H2,1H3,(H2,15,18)
InChIKeyZIGSVOSMYRYDSU-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.13
Rot. Bonds4

About 3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide

3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide (PubChem CID 112618609) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide.

Molecular Properties

Compound Name3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide
PubChem CID112618609
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide
SMILESCNC(CC(N)=O)c1ccc(Br)c2cccnc12
InChIInChI=1S/C13H14BrN3O/c1-16-11(7-12(15)18)9-4-5-10(14)8-3-2-6-17-13(8)9/h2-6,11,16H,7H2,1H3,(H2,15,18)
InChIKeyZIGSVOSMYRYDSU-UHFFFAOYSA-N
XLogP2.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide
CID 115960567
(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide
CID 103940793
methyl 4-(5-bromoquinolin-8-yl)-4-hydroxy-2-methylbutanoate
CID 115960217
2-(5-bromoquinolin-8-yl)-2-(butan-2-ylamino)acetic acid
CID 115959642
2-[(5-bromoquinolin-8-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 115960370
N-(5-bromoquinolin-8-yl)butanamide
CID 35287139
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol
CID 112618657
1-(5-bromoquinolin-8-yl)-2-propoxyethanol
CID 112618151
1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol
CID 112618176
4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine
CID 112618640
2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile
CID 112618353

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide?
The IUPAC name of 3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide (CID 112618609) is 3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide.
What is the SMILES notation for 3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide?
The canonical SMILES for 3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide is CNC(CC(N)=O)c1ccc(Br)c2cccnc12.
What is the InChIKey of 3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide?
The InChIKey is ZIGSVOSMYRYDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-16-11(7-12(15)18)9-4-5-10(14)8-3-2-6-17-13(8)9/h2-6,11,16H,7H2,1H3,(H2,15,18).
What are the key properties of 3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide?
3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide has a molecular weight of 308.18 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide is sourced from PubChem (CID 112618609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).