2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide

C15H18BrN3O2 — CID 116784369

IUPAC2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C15H18BrN3O2/c1-21-7-3-5-12(17)15(20)19-13-6-2-4-10-8-11(16)9-18-14(10)13/h2,4,6,8-9,12H,3,5,7,17H2,1H3,(H,19,20)
InChIKeyPWNHBESDBJIHQY-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.69
Rot. Bonds6

About 2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide

2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide (PubChem CID 116784369) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide.

Molecular Properties

Compound Name2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide
PubChem CID116784369
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide
SMILESCOCCCC(N)C(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C15H18BrN3O2/c1-21-7-3-5-12(17)15(20)19-13-6-2-4-10-8-11(16)9-18-14(10)13/h2,4,6,8-9,12H,3,5,7,17H2,1H3,(H,19,20)
InChIKeyPWNHBESDBJIHQY-UHFFFAOYSA-N
XLogP2.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(3-bromoquinolin-8-yl)-4-methylsulfanylbutanamide
CID 104909142
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide
CID 116784850
N-(3-bromoquinolin-8-yl)-2-carbamothioyl-3-methylbutanamide
CID 116784582
methyl 3-[(3-bromoquinolin-8-yl)carbamoyl]benzoate
CID 19592861
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378
N-(3-bromoquinolin-8-yl)-2-cyano-3-methylbutanamide
CID 116784504
2-[(2-amino-5-methoxypentanoyl)amino]benzamide
CID 81082219
methyl 3-[(2-amino-5-methoxypentanoyl)amino]-2-methylbenzoate
CID 81084760
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
CID 116784288
2-amino-5-methoxy-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81082297

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide?
The IUPAC name of 2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide (CID 116784369) is 2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide.
What is the SMILES notation for 2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide?
The canonical SMILES for 2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide is COCCCC(N)C(=O)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of 2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide?
The InChIKey is PWNHBESDBJIHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-21-7-3-5-12(17)15(20)19-13-6-2-4-10-8-11(16)9-18-14(10)13/h2,4,6,8-9,12H,3,5,7,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide?
2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide has a molecular weight of 352.23 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromoquinolin-8-yl)-5-methoxypentanamide is sourced from PubChem (CID 116784369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).