(3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol

C15H17ClN2O2 — CID 91777937

IUPAC(3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol
SMILESCc1cc(N[C@@H]2COCC[C@H]2O)nc2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN2O2/c1-9-6-15(18-13-8-20-5-4-14(13)19)17-12-7-10(16)2-3-11(9)12/h2-3,6-7,13-14,19H,4-5,8H2,1H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyKFHAZPCBPLEUSX-ZIAGYGMSSA-N
MW292.77 g/mol
LogP2.76
Rot. Bonds2

About (3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol

(3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol (PubChem CID 91777937) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol
PubChem CID91777937
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol
SMILESCc1cc(N[C@@H]2COCC[C@H]2O)nc2cc(Cl)ccc12
InChIInChI=1S/C15H17ClN2O2/c1-9-6-15(18-13-8-20-5-4-14(13)19)17-12-7-10(16)2-3-11(9)12/h2-3,6-7,13-14,19H,4-5,8H2,1H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyKFHAZPCBPLEUSX-ZIAGYGMSSA-N
XLogP2.76
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol with MolForge

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Related Compounds

4-[(7-chloro-4-methylquinolin-2-yl)amino]cyclohexan-1-ol
CID 31196506
7-chloro-2-(oxolan-3-yl)quinoline-4-carboxylic acid
CID 113483506
N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-methylquinolin-2-amine
CID 23931420
4,7-dichloro-N-cyclohexylquinolin-2-amine
CID 162413926
(3R,4R)-3-[(4,6-dimethoxypyrimidin-2-yl)amino]oxan-4-ol
CID 91771624
methyl 7-chloro-4-methylquinoline-2-carboxylate
CID 82574602
(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol
CID 155083992
trans-(1S,3S)-1-N-(6-chloro-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
CID 69439548
2-(4-chloro-2-methylanilino)cyclopentan-1-ol
CID 25130591
6-chloro-2-methyl-N-(oxolan-3-ylmethyl)quinoline-4-carboxamide
CID 119072201
6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine
CID 114241669
2-(7-chloro-4-methylquinolin-2-yl)acetonitrile
CID 84622518

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol?
The IUPAC name of (3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol (CID 91777937) is (3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol.
What is the SMILES notation for (3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol?
The canonical SMILES for (3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol is Cc1cc(N[C@@H]2COCC[C@H]2O)nc2cc(Cl)ccc12.
What is the InChIKey of (3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol?
The InChIKey is KFHAZPCBPLEUSX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-9-6-15(18-13-8-20-5-4-14(13)19)17-12-7-10(16)2-3-11(9)12/h2-3,6-7,13-14,19H,4-5,8H2,1H3,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol?
(3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol has a molecular weight of 292.77 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(7-chloro-4-methylquinolin-2-yl)amino]oxan-4-ol is sourced from PubChem (CID 91777937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).