2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol

C13H15BrN2O2 — CID 143875691

IUPAC2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol
SMILESCOc1ccc2ncc(Br)c(NC(C)CO)c2c1
InChIInChI=1S/C13H15BrN2O2/c1-8(7-17)16-13-10-5-9(18-2)3-4-12(10)15-6-11(13)14/h3-6,8,17H,7H2,1-2H3,(H,15,16)
InChIKeyKBKBCCFLKSUEHE-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.80
Rot. Bonds4

About 2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol

2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol (PubChem CID 143875691) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol
PubChem CID143875691
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol
SMILESCOc1ccc2ncc(Br)c(NC(C)CO)c2c1
InChIInChI=1S/C13H15BrN2O2/c1-8(7-17)16-13-10-5-9(18-2)3-4-12(10)15-6-11(13)14/h3-6,8,17H,7H2,1-2H3,(H,15,16)
InChIKeyKBKBCCFLKSUEHE-UHFFFAOYSA-N
XLogP2.80
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylic acid;hydrochloride
CID 20982484
4-(hydroxymethyl)-6-methoxyquinolin-3-ol
CID 67246471
ethyl 4-(2-hydroxypropylamino)-6-methoxyquinoline-3-carboxylate
CID 2791600
methyl 3-[(1S)-1-hydroxyethyl]-6-methoxyquinoline-4-carboxylate
CID 101455460
ethyl 4-(3-bromo-4-methylanilino)-6-methoxyquinoline-3-carboxylate
CID 23903151
ethyl 6-methoxy-4-(methylamino)quinoline-3-carboxylate
CID 46397911
3-bromo-6-methoxy-4-piperazin-1-ylquinoline
CID 121236333
2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol
CID 103517708
4-amino-6-methoxyquinolin-3-ol
CID 84662489
2-[(3,6-dibromoquinolin-4-yl)amino]ethanol
CID 143875719
4-bromo-6-methoxycinnoline
CID 53415017
5-bromo-3-methoxyquinoline
CID 58227851

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol (CID 143875691) is 2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol is COc1ccc2ncc(Br)c(NC(C)CO)c2c1.
What is the InChIKey of 2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol?
The InChIKey is KBKBCCFLKSUEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-8(7-17)16-13-10-5-9(18-2)3-4-12(10)15-6-11(13)14/h3-6,8,17H,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol?
2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol has a molecular weight of 311.18 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-6-methoxyquinolin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 143875691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).