1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol

C14H14BrClN2O — CID 133437290

IUPAC1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
SMILESOC1(CNc2ccc3cc(Br)cc(Cl)c3n2)CCC1
InChIInChI=1S/C14H14BrClN2O/c15-10-6-9-2-3-12(18-13(9)11(16)7-10)17-8-14(19)4-1-5-14/h2-3,6-7,19H,1,4-5,8H2,(H,17,18)
InChIKeySDGQUFSCRZUOLE-UHFFFAOYSA-N
MW341.64 g/mol
LogP3.98
Rot. Bonds3

About 1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol

1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 133437290) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
PubChem CID133437290
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
SMILESOC1(CNc2ccc3cc(Br)cc(Cl)c3n2)CCC1
InChIInChI=1S/C14H14BrClN2O/c15-10-6-9-2-3-12(18-13(9)11(16)7-10)17-8-14(19)4-1-5-14/h2-3,6-7,19H,1,4-5,8H2,(H,17,18)
InChIKeySDGQUFSCRZUOLE-UHFFFAOYSA-N
XLogP3.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[(6-bromo-8-chloroquinolin-2-yl)amino]propan-1-ol
CID 75445295
3-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 133437196
N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide
CID 133437081
1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65109143
3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol
CID 133436638
4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide
CID 133436485
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
1-[[(6-fluoro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 65108918
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103469214
1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
CID 115669126
[1-[[(8-chloroquinolin-2-yl)amino]methyl]cyclopentyl]methanol
CID 122572355
3-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133436656

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol (CID 133437290) is 1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol is OC1(CNc2ccc3cc(Br)cc(Cl)c3n2)CCC1.
What is the InChIKey of 1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is SDGQUFSCRZUOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c15-10-6-9-2-3-12(18-13(9)11(16)7-10)17-8-14(19)4-1-5-14/h2-3,6-7,19H,1,4-5,8H2,(H,17,18).
What are the key properties of 1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol?
1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 341.64 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 133437290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).