5-[(3-bromoquinolin-8-yl)amino]pentanoic acid

C14H15BrN2O2 — CID 116784480

IUPAC5-[(3-bromoquinolin-8-yl)amino]pentanoic acid
SMILESO=C(O)CCCCNc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H15BrN2O2/c15-11-8-10-4-3-5-12(14(10)17-9-11)16-7-2-1-6-13(18)19/h3-5,8-9,16H,1-2,6-7H2,(H,18,19)
InChIKeyATYPPQRWOUQBRJ-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.66
Rot. Bonds6

About 5-[(3-bromoquinolin-8-yl)amino]pentanoic acid

5-[(3-bromoquinolin-8-yl)amino]pentanoic acid (PubChem CID 116784480) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-[(3-bromoquinolin-8-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(3-bromoquinolin-8-yl)amino]pentanoic acid
PubChem CID116784480
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name5-[(3-bromoquinolin-8-yl)amino]pentanoic acid
SMILESO=C(O)CCCCNc1cccc2cc(Br)cnc12
InChIInChI=1S/C14H15BrN2O2/c15-11-8-10-4-3-5-12(14(10)17-9-11)16-7-2-1-6-13(18)19/h3-5,8-9,16H,1-2,6-7H2,(H,18,19)
InChIKeyATYPPQRWOUQBRJ-UHFFFAOYSA-N
XLogP3.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[(3-bromoquinolin-8-yl)amino]but-2-enoic acid
CID 103267533
3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
CID 116784215
(Z)-4-[(3-bromoquinolin-8-yl)amino]-2-ethylbut-2-enoic acid
CID 103267539
5-[[(3-bromoquinolin-8-yl)amino]methyl]furan-2-carboxylic acid
CID 116783544
5-(2-bromoanilino)pentanoic acid
CID 28972032
N-(3-bromoquinolin-8-yl)-3-(propan-2-ylamino)propanamide
CID 116784420
2-[(3-bromoquinolin-8-yl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 116784232
7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
CID 24701669
6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
CID 24704054
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
2-[(3-bromoquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116784204
3-bromo-N-(2-morpholin-4-ylethyl)quinolin-8-amine
CID 116784312

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromoquinolin-8-yl)amino]pentanoic acid?
The IUPAC name of 5-[(3-bromoquinolin-8-yl)amino]pentanoic acid (CID 116784480) is 5-[(3-bromoquinolin-8-yl)amino]pentanoic acid.
What is the SMILES notation for 5-[(3-bromoquinolin-8-yl)amino]pentanoic acid?
The canonical SMILES for 5-[(3-bromoquinolin-8-yl)amino]pentanoic acid is O=C(O)CCCCNc1cccc2cc(Br)cnc12.
What is the InChIKey of 5-[(3-bromoquinolin-8-yl)amino]pentanoic acid?
The InChIKey is ATYPPQRWOUQBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-11-8-10-4-3-5-12(14(10)17-9-11)16-7-2-1-6-13(18)19/h3-5,8-9,16H,1-2,6-7H2,(H,18,19).
What are the key properties of 5-[(3-bromoquinolin-8-yl)amino]pentanoic acid?
5-[(3-bromoquinolin-8-yl)amino]pentanoic acid has a molecular weight of 323.19 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromoquinolin-8-yl)amino]pentanoic acid is sourced from PubChem (CID 116784480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).