2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide

C16H20BrN3O — CID 116784232

IUPAC2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H20BrN3O/c1-4-16(2,3)20-14(21)10-18-13-7-5-6-11-8-12(17)9-19-15(11)13/h5-9,18H,4,10H2,1-3H3,(H,20,21)
InChIKeyLIJHEKZXGDDACM-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.71
Rot. Bonds5

About 2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide

2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 116784232) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID116784232
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H20BrN3O/c1-4-16(2,3)20-14(21)10-18-13-7-5-6-11-8-12(17)9-19-15(11)13/h5-9,18H,4,10H2,1-3H3,(H,20,21)
InChIKeyLIJHEKZXGDDACM-UHFFFAOYSA-N
XLogP3.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine
CID 116783708
2-(2-bromoanilino)-N-(2-methylbutan-2-yl)acetamide
CID 51252444
2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116784204
2-(aminomethyl)-N-(3-bromoquinolin-8-yl)-2-ethylbutanamide
CID 116784341
(Z)-4-[(3-bromoquinolin-8-yl)amino]-2-ethylbut-2-enoic acid
CID 103267539
(E)-4-[(3-bromoquinolin-8-yl)amino]but-2-enoic acid
CID 103267533
5-[(3-bromoquinolin-8-yl)amino]pentanoic acid
CID 116784480
N-(3-bromoquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 116784396
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
CID 116784215
N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 116784420
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide (CID 116784232) is 2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNc1cccc2cc(Br)cnc12.
What is the InChIKey of 2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is LIJHEKZXGDDACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-4-16(2,3)20-14(21)10-18-13-7-5-6-11-8-12(17)9-19-15(11)13/h5-9,18H,4,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide?
2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 350.26 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 116784232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).