1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol

C13H15BrN2O — CID 165134506

IUPAC1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccnc2cc(Br)ccc12
InChIInChI=1S/C13H15BrN2O/c1-13(2,17)8-16-11-5-6-15-12-7-9(14)3-4-10(11)12/h3-7,17H,8H2,1-2H3,(H,15,16)
InChIKeyZVPZXAGPZZULKM-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.18
Rot. Bonds3

About 1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol

1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 165134506) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID165134506
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccnc2cc(Br)ccc12
InChIInChI=1S/C13H15BrN2O/c1-13(2,17)8-16-11-5-6-15-12-7-9(14)3-4-10(11)12/h3-7,17H,8H2,1-2H3,(H,15,16)
InChIKeyZVPZXAGPZZULKM-UHFFFAOYSA-N
XLogP3.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(7-bromoquinolin-4-yl)carbamate
CID 71742953
(3R)-3-[(7-bromoquinolin-4-yl)amino]-4-methylpentan-1-ol
CID 96514670
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 103001581
(7-bromoquinolin-4-yl)methanol
CID 57139704
3-[(7-chloroquinolin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307879
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
methyl 4-[(7-bromoquinolin-4-yl)amino]benzoate
CID 50877245
1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
CID 60886097
1-[[7-bromo-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-4-yl]amino]-2-methylpropan-2-ol;1-methylpiperazine
CID 174242624
N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide
CID 133326780
1-[(7-chloroquinolin-4-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353147

Frequently Asked Questions

What is the IUPAC name of 1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol (CID 165134506) is 1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol is CC(C)(O)CNc1ccnc2cc(Br)ccc12.
What is the InChIKey of 1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is ZVPZXAGPZZULKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-13(2,17)8-16-11-5-6-15-12-7-9(14)3-4-10(11)12/h3-7,17H,8H2,1-2H3,(H,15,16).
What are the key properties of 1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol?
1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 295.18 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-bromoquinolin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 165134506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).