3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide

C22H23N3O2 — CID 23027475

IUPAC3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide
SMILESO=C(NC1CCC(Nc2ccc3ccccc3n2)CC1)c1cccc(O)c1
InChIInChI=1S/C22H23N3O2/c26-19-6-3-5-16(14-19)22(27)24-18-11-9-17(10-12-18)23-21-13-8-15-4-1-2-7-20(15)25-21/h1-8,13-14,17-18,26H,9-12H2,(H,23,25)(H,24,27)
InChIKeyPPUGQPCSDHLSSF-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.09
Rot. Bonds4

About 3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide

3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide (PubChem CID 23027475) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide
PubChem CID23027475
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide
SMILESO=C(NC1CCC(Nc2ccc3ccccc3n2)CC1)c1cccc(O)c1
InChIInChI=1S/C22H23N3O2/c26-19-6-3-5-16(14-19)22(27)24-18-11-9-17(10-12-18)23-21-13-8-15-4-1-2-7-20(15)25-21/h1-8,13-14,17-18,26H,9-12H2,(H,23,25)(H,24,27)
InChIKeyPPUGQPCSDHLSSF-UHFFFAOYSA-N
XLogP4.09
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide?
The IUPAC name of 3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide (CID 23027475) is 3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide?
The canonical SMILES for 3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide is O=C(NC1CCC(Nc2ccc3ccccc3n2)CC1)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide?
The InChIKey is PPUGQPCSDHLSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-19-6-3-5-16(14-19)22(27)24-18-11-9-17(10-12-18)23-21-13-8-15-4-1-2-7-20(15)25-21/h1-8,13-14,17-18,26H,9-12H2,(H,23,25)(H,24,27).
What are the key properties of 3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide?
3-hydroxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide has a molecular weight of 361.44 g/mol, XLogP of 4.09, 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-(quinolin-2-ylamino)cyclohexyl]benzamide is sourced from PubChem (CID 23027475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).