4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol

C23H26N2O2 — CID 22417863

IUPAC4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol
SMILESCc1cc(Nc2ccc(OCC3CCCCC3)cc2)c2cc(O)ccc2n1
InChIInChI=1S/C23H26N2O2/c1-16-13-23(21-14-19(26)9-12-22(21)24-16)25-18-7-10-20(11-8-18)27-15-17-5-3-2-4-6-17/h7-14,17,26H,2-6,15H2,1H3,(H,24,25)
InChIKeyKDRMLHDPZHTFRO-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.95
Rot. Bonds5

About 4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol

4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol (PubChem CID 22417863) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol.

Molecular Properties

Compound Name4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol
PubChem CID22417863
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol
SMILESCc1cc(Nc2ccc(OCC3CCCCC3)cc2)c2cc(O)ccc2n1
InChIInChI=1S/C23H26N2O2/c1-16-13-23(21-14-19(26)9-12-22(21)24-16)25-18-7-10-20(11-8-18)27-15-17-5-3-2-4-6-17/h7-14,17,26H,2-6,15H2,1H3,(H,24,25)
InChIKeyKDRMLHDPZHTFRO-UHFFFAOYSA-N
XLogP5.95
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol?
The IUPAC name of 4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol (CID 22417863) is 4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol.
What is the SMILES notation for 4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol?
The canonical SMILES for 4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol is Cc1cc(Nc2ccc(OCC3CCCCC3)cc2)c2cc(O)ccc2n1.
What is the InChIKey of 4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol?
The InChIKey is KDRMLHDPZHTFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-13-23(21-14-19(26)9-12-22(21)24-16)25-18-7-10-20(11-8-18)27-15-17-5-3-2-4-6-17/h7-14,17,26H,2-6,15H2,1H3,(H,24,25).
What are the key properties of 4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol?
4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol has a molecular weight of 362.47 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylmethoxy)anilino]-2-methylquinolin-6-ol is sourced from PubChem (CID 22417863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).