N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide

C22H22ClN3O2 — CID 24830372

IUPACN-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C22H22ClN3O2/c1-28-18-4-2-3-15(13-18)22(27)25-17-8-11-26(12-9-17)21-7-10-24-20-14-16(23)5-6-19(20)21/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,25,27)
InChIKeyBIFIPCYRUKVTLT-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.30
Rot. Bonds4

About N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide

N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide (PubChem CID 24830372) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide
PubChem CID24830372
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C22H22ClN3O2/c1-28-18-4-2-3-15(13-18)22(27)25-17-8-11-26(12-9-17)21-7-10-24-20-14-16(23)5-6-19(20)21/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,25,27)
InChIKeyBIFIPCYRUKVTLT-UHFFFAOYSA-N
XLogP4.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-4-methylbenzamide;2,4,6-trichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]benzamide
CID 159324609
3-methoxy-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]benzamide
CID 75494317
2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 24830996
2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 24830997
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108559737
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide
CID 24830844
1-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-(4-methoxyphenyl)-1-sulfanylurea
CID 87694987
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
N-[1-(7-chloroquinolin-4-yl)pyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 44526011

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide (CID 24830372) is N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1.
What is the InChIKey of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is BIFIPCYRUKVTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-28-18-4-2-3-15(13-18)22(27)25-17-8-11-26(12-9-17)21-7-10-24-20-14-16(23)5-6-19(20)21/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,25,27).
What are the key properties of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide?
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 395.89 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 24830372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).