1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol

C13H16BrN3O — CID 141093826

IUPAC1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc2ccc(Br)cc2cc1N
InChIInChI=1S/C13H16BrN3O/c1-13(2,18)7-16-12-10(15)6-8-5-9(14)3-4-11(8)17-12/h3-6,18H,7,15H2,1-2H3,(H,16,17)
InChIKeyLSIAVPCRZJDANS-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.76
Rot. Bonds3

About 1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol

1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol (PubChem CID 141093826) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol
PubChem CID141093826
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1nc2ccc(Br)cc2cc1N
InChIInChI=1S/C13H16BrN3O/c1-13(2,18)7-16-12-10(15)6-8-5-9(14)3-4-11(8)17-12/h3-6,18H,7,15H2,1-2H3,(H,16,17)
InChIKeyLSIAVPCRZJDANS-UHFFFAOYSA-N
XLogP2.76
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol (CID 141093826) is 1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol is CC(C)(O)CNc1nc2ccc(Br)cc2cc1N.
What is the InChIKey of 1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol?
The InChIKey is LSIAVPCRZJDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-13(2,18)7-16-12-10(15)6-8-5-9(14)3-4-11(8)17-12/h3-6,18H,7,15H2,1-2H3,(H,16,17).
What are the key properties of 1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol?
1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol has a molecular weight of 310.19 g/mol, XLogP of 2.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-6-bromoquinolin-2-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 141093826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).