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

C15H18BrN3O — CID 115960567

IUPAC3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1ccc(Br)c2cccnc12
InChIInChI=1S/C15H18BrN3O/c1-2-7-18-13(9-14(17)20)11-5-6-12(16)10-4-3-8-19-15(10)11/h3-6,8,13,18H,2,7,9H2,1H3,(H2,17,20)
InChIKeyFULONQDREASBQV-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.91
Rot. Bonds6

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

3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide (PubChem CID 115960567) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide.

Molecular Properties

Compound Name3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide
PubChem CID115960567
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide
SMILESCCCNC(CC(N)=O)c1ccc(Br)c2cccnc12
InChIInChI=1S/C15H18BrN3O/c1-2-7-18-13(9-14(17)20)11-5-6-12(16)10-4-3-8-19-15(10)11/h3-6,8,13,18H,2,7,9H2,1H3,(H2,17,20)
InChIKeyFULONQDREASBQV-UHFFFAOYSA-N
XLogP2.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide
CID 112618609
(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide
CID 103940793
methyl 3-(5-chloroquinolin-8-yl)-3-(propylamino)propanoate
CID 115960570
2-(5-bromoquinolin-8-yl)-2-(butan-2-ylamino)acetic acid
CID 115959642
methyl 4-(5-bromoquinolin-8-yl)-4-hydroxy-2-methylbutanoate
CID 115960217
2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
CID 115959136
(E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093776
3-phenyl-3-(propylamino)propanamide
CID 65235689
N-(5-bromoquinolin-8-yl)butanamide
CID 35287139
1-(5-bromoquinolin-8-yl)-2-propoxyethanol
CID 112618151
1-(5-bromoquinolin-8-yl)-3-methylhexan-1-ol
CID 112618176
2-[(5-bromoquinolin-8-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 115960370

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide?
The IUPAC name of 3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide (CID 115960567) is 3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide.
What is the SMILES notation for 3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide?
The canonical SMILES for 3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide is CCCNC(CC(N)=O)c1ccc(Br)c2cccnc12.
What is the InChIKey of 3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide?
The InChIKey is FULONQDREASBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-2-7-18-13(9-14(17)20)11-5-6-12(16)10-4-3-8-19-15(10)11/h3-6,8,13,18H,2,7,9H2,1H3,(H2,17,20).
What are the key properties of 3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide?
3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide has a molecular weight of 336.23 g/mol, XLogP of 2.91, 6 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-(propylamino)propanamide is sourced from PubChem (CID 115960567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).