N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide

C23H23Cl2N3O2 — CID 22396243

IUPACN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide
SMILESCOc1ccc2nccc(C(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)c2c1
InChIInChI=1S/C23H23Cl2N3O2/c1-30-17-3-5-22-19(13-17)18(6-9-26-22)23(29)27-16-7-10-28(11-8-16)14-15-2-4-20(24)21(25)12-15/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3,(H,27,29)
InChIKeyYAKHEYZELXBRNB-UHFFFAOYSA-N
MW444.36 g/mol
LogP4.94
Rot. Bonds5

About N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide (PubChem CID 22396243) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide
PubChem CID22396243
Molecular FormulaC23H23Cl2N3O2
Molecular Weight444.36 g/mol
Exact Mass443.12
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide
SMILESCOc1ccc2nccc(C(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)c2c1
InChIInChI=1S/C23H23Cl2N3O2/c1-30-17-3-5-22-19(13-17)18(6-9-26-22)23(29)27-16-7-10-28(11-8-16)14-15-2-4-20(24)21(25)12-15/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3,(H,27,29)
InChIKeyYAKHEYZELXBRNB-UHFFFAOYSA-N
XLogP4.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide (CID 22396243) is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide is COc1ccc2nccc(C(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)c2c1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide?
The InChIKey is YAKHEYZELXBRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2/c1-30-17-3-5-22-19(13-17)18(6-9-26-22)23(29)27-16-7-10-28(11-8-16)14-15-2-4-20(24)21(25)12-15/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3,(H,27,29).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide?
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide has a molecular weight of 444.36 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-6-methoxyquinoline-4-carboxamide is sourced from PubChem (CID 22396243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).