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

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Related Compounds

methanesulfonic acid;3-methoxy-N-[4-(quinolin-2-ylamino)cyclohexyl]benzamide
CID 87995779
1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine
CID 23026816
N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxybenzamide
CID 104694737
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
N-quinolin-2-ylnaphthalene-2-carboxamide
CID 46811579
N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 91266740
N-cyclohexyl-6-hydroxyquinoline-3-carboxamide
CID 69292752
2-(quinolin-2-ylamino)cyclopentane-1-carboxylic acid
CID 64816078
1-(4-hydroxycyclohexyl)-3-[2-(quinolin-2-ylamino)ethyl]urea
CID 47092532
N-quinolin-2-yl-1H-indole-5-carboxamide
CID 134151071
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742

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).