N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide

C22H28ClN3O2 — CID 91667484

IUPACN-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1)C1CCCCC1
InChIInChI=1S/C22H28ClN3O2/c23-19-13-16(21(27)20-18(19)7-4-10-24-20)14-26-11-8-17(9-12-26)25-22(28)15-5-2-1-3-6-15/h4,7,10,13,15,17,27H,1-3,5-6,8-9,11-12,14H2,(H,25,28)
InChIKeyLWRDMKDMHFLQJG-UHFFFAOYSA-N
MW401.94 g/mol
LogP4.25
Rot. Bonds4

About N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 91667484) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID91667484
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1)C1CCCCC1
InChIInChI=1S/C22H28ClN3O2/c23-19-13-16(21(27)20-18(19)7-4-10-24-20)14-26-11-8-17(9-12-26)25-22(28)15-5-2-1-3-6-15/h4,7,10,13,15,17,27H,1-3,5-6,8-9,11-12,14H2,(H,25,28)
InChIKeyLWRDMKDMHFLQJG-UHFFFAOYSA-N
XLogP4.25
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609
1-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]-1-methyl-3-phenylurea
CID 91667442
5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
CID 3470863
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
5-methyl-7-(piperidin-1-ylmethyl)quinolin-8-ol
CID 23765907
1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
CID 2903315
N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide
CID 72703844
2-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55827715
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
CID 23604739

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide (CID 91667484) is N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide is O=C(NC1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1)C1CCCCC1.
What is the InChIKey of N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is LWRDMKDMHFLQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c23-19-13-16(21(27)20-18(19)7-4-10-24-20)14-26-11-8-17(9-12-26)25-22(28)15-5-2-1-3-6-15/h4,7,10,13,15,17,27H,1-3,5-6,8-9,11-12,14H2,(H,25,28).
What are the key properties of N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 401.94 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 91667484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).