3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide

C23H25N3O2 — CID 23027191

IUPAC3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide
SMILESCc1cc(NC2CCC(NC(=O)c3cccc(O)c3)CC2)nc2ccccc12
InChIInChI=1S/C23H25N3O2/c1-15-13-22(26-21-8-3-2-7-20(15)21)24-17-9-11-18(12-10-17)25-23(28)16-5-4-6-19(27)14-16/h2-8,13-14,17-18,27H,9-12H2,1H3,(H,24,26)(H,25,28)
InChIKeyUUEDNYSTTCJVLV-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.40
Rot. Bonds4

About 3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide

3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide (PubChem CID 23027191) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide
PubChem CID23027191
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide
SMILESCc1cc(NC2CCC(NC(=O)c3cccc(O)c3)CC2)nc2ccccc12
InChIInChI=1S/C23H25N3O2/c1-15-13-22(26-21-8-3-2-7-20(15)21)24-17-9-11-18(12-10-17)25-23(28)16-5-4-6-19(27)14-16/h2-8,13-14,17-18,27H,9-12H2,1H3,(H,24,26)(H,25,28)
InChIKeyUUEDNYSTTCJVLV-UHFFFAOYSA-N
XLogP4.40
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide?
The IUPAC name of 3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide (CID 23027191) is 3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide?
The canonical SMILES for 3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide is Cc1cc(NC2CCC(NC(=O)c3cccc(O)c3)CC2)nc2ccccc12.
What is the InChIKey of 3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide?
The InChIKey is UUEDNYSTTCJVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-13-22(26-21-8-3-2-7-20(15)21)24-17-9-11-18(12-10-17)25-23(28)16-5-4-6-19(27)14-16/h2-8,13-14,17-18,27H,9-12H2,1H3,(H,24,26)(H,25,28).
What are the key properties of 3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide?
3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[4-[(4-methylquinolin-2-yl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 23027191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).