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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2-chloroquinolin-3-amine
CID 114553732
1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
CID 60886097
2-(2-amino-4-bromophenyl)propan-2-ol
CID 57155706
1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol
CID 165134506
2-(2-amino-5-bromophenyl)propan-2-ol
CID 12042275
1-[[2-(4-bromo-2-chlorophenyl)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 138016345
3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102801
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol
CID 115137230
3-[(3-amino-6-bromoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115358199
2-(3-amino-6-bromo-4-methylquinolin-2-yl)propan-2-ol
CID 132590349
ethyl 2-[6-bromo-2-(trifluoromethyl)quinolin-3-yl]acetate
CID 177016242
2,6-dibromo-3-methylquinoline
CID 39423757

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).