4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol

C14H17ClN2O — CID 116783853

IUPAC4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H17ClN2O/c1-14(2,18)7-9-16-12-6-5-11(15)10-4-3-8-17-13(10)12/h3-6,8,16,18H,7,9H2,1-2H3
InChIKeyUTDJKHUUMYZLRJ-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.46
Rot. Bonds4

About 4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol

4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol (PubChem CID 116783853) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
PubChem CID116783853
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol
SMILESCC(C)(O)CCNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H17ClN2O/c1-14(2,18)7-9-16-12-6-5-11(15)10-4-3-8-17-13(10)12/h3-6,8,16,18H,7,9H2,1-2H3
InChIKeyUTDJKHUUMYZLRJ-UHFFFAOYSA-N
XLogP3.46
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
5-chloro-N-(2-ethylsulfonylethyl)quinolin-8-amine
CID 116783967
6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056
tert-butyl N-[3-[(5-chloroquinolin-8-yl)amino]propyl]carbamate
CID 103821885
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
2-[(5-chloroquinolin-8-yl)amino]ethanesulfonamide
CID 114384833
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
5-chloro-N-(2,2-dimethoxyethyl)quinolin-8-amine
CID 63696724
5-[(5-chloroquinolin-8-yl)amino]-N'-hydroxypentanimidamide
CID 116784971
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
8-chloro-N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61323719
8-chloro-N-heptylquinolin-5-amine
CID 43731731

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol (CID 116783853) is 4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol is CC(C)(O)CCNc1ccc(Cl)c2cccnc12.
What is the InChIKey of 4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol?
The InChIKey is UTDJKHUUMYZLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-14(2,18)7-9-16-12-6-5-11(15)10-4-3-8-17-13(10)12/h3-6,8,16,18H,7,9H2,1-2H3.
What are the key properties of 4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol?
4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol has a molecular weight of 264.76 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloroquinolin-8-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 116783853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).