(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide

C12H12BrN3O — CID 103940793

IUPAC(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide
SMILESNC(=O)C[C@@H](N)c1ccc(Br)c2cccnc12
InChIInChI=1S/C12H12BrN3O/c13-9-4-3-8(10(14)6-11(15)17)12-7(9)2-1-5-16-12/h1-5,10H,6,14H2,(H2,15,17)/t10-/m1/s1
InChIKeyBOLSOMLMWZNSLB-SNVBAGLBSA-N
MW294.15 g/mol
LogP1.87
Rot. Bonds3

About (3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide

(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide (PubChem CID 103940793) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide
PubChem CID103940793
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide
SMILESNC(=O)C[C@@H](N)c1ccc(Br)c2cccnc12
InChIInChI=1S/C12H12BrN3O/c13-9-4-3-8(10(14)6-11(15)17)12-7(9)2-1-5-16-12/h1-5,10H,6,14H2,(H2,15,17)/t10-/m1/s1
InChIKeyBOLSOMLMWZNSLB-SNVBAGLBSA-N
XLogP1.87
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromoquinolin-8-yl)-3-(methylamino)propanamide
CID 112618609
3-(5-bromoquinolin-8-yl)-3-(propylamino)propanamide
CID 115960567
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
methyl (3S)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 113355755
methyl (3R)-3-amino-3-(5-chloroquinolin-8-yl)propanoate
CID 103940787
2-[(5-bromoquinolin-8-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 115960370
4-amino-3-(5-bromoquinolin-8-yl)-4-methylpentan-1-ol
CID 112618657
2-bromo-2-(5-bromoquinolin-8-yl)acetonitrile
CID 112618353
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
(5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 115959866
(5-bromoquinolin-8-yl)-cyclopentylmethanol
CID 112618124

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide?
The IUPAC name of (3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide (CID 103940793) is (3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide.
What is the SMILES notation for (3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide?
The canonical SMILES for (3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide is NC(=O)C[C@@H](N)c1ccc(Br)c2cccnc12.
What is the InChIKey of (3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide?
The InChIKey is BOLSOMLMWZNSLB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-9-4-3-8(10(14)6-11(15)17)12-7(9)2-1-5-16-12/h1-5,10H,6,14H2,(H2,15,17)/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide?
(3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide has a molecular weight of 294.15 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(5-bromoquinolin-8-yl)propanamide is sourced from PubChem (CID 103940793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).