4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide

C14H16BrN3O — CID 116784378

IUPAC4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H16BrN3O/c1-9(7-16)5-13(19)18-12-4-2-3-10-6-11(15)8-17-14(10)12/h2-4,6,8-9H,5,7,16H2,1H3,(H,18,19)
InChIKeyYRHQHHOMMULKTL-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.92
Rot. Bonds4

About 4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide

4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide (PubChem CID 116784378) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
PubChem CID116784378
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H16BrN3O/c1-9(7-16)5-13(19)18-12-4-2-3-10-6-11(15)8-17-14(10)12/h2-4,6,8-9H,5,7,16H2,1H3,(H,18,19)
InChIKeyYRHQHHOMMULKTL-UHFFFAOYSA-N
XLogP2.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 116784420
2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide
CID 116784341
N-(3-bromoquinolin-8-yl)-2-carbamothioyl-3-methylbutanamide
CID 116784582
N-(3-bromoquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 116784396
ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
CID 116784151
2-(4-aminopyrazol-1-yl)-N-(3-bromoquinolin-8-yl)acetamide
CID 116782974
N-(3-bromoquinolin-8-yl)-2-cyano-3-methylbutanamide
CID 116784504
(2R)-2-amino-N-(3-bromoquinolin-8-yl)-4-methylsulfanylbutanamide
CID 104909142
N-(3-bromoquinolin-8-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 116784789
N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208586
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
N-(3-bromoquinolin-8-yl)-2-(tetrazol-1-yl)acetamide
CID 116784723

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide (CID 116784378) is 4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide is CC(CN)CC(=O)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of 4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide?
The InChIKey is YRHQHHOMMULKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9(7-16)5-13(19)18-12-4-2-3-10-6-11(15)8-17-14(10)12/h2-4,6,8-9H,5,7,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide?
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide has a molecular weight of 322.21 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide is sourced from PubChem (CID 116784378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).