N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide

C32H34N4O — CID 10117292

IUPACN,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccncc3)CC2)c2cccc3cccnc23)cc1
InChIInChI=1S/C32H34N4O/c1-3-36(4-2)32(37)28-12-10-25(11-13-28)30(29-9-5-7-27-8-6-18-34-31(27)29)26-16-21-35(22-17-26)23-24-14-19-33-20-15-24/h5-15,18-20H,3-4,16-17,21-23H2,1-2H3
InChIKeyRFICPLWPIWVNPN-UHFFFAOYSA-N
MW490.65 g/mol
LogP6.21
Rot. Bonds7

About N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide

N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide (PubChem CID 10117292) has the molecular formula C32H34N4O and a molecular weight of 490.65 g/mol. Its IUPAC name is N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide
PubChem CID10117292
Molecular FormulaC32H34N4O
Molecular Weight490.65 g/mol
Exact Mass490.27
IUPAC NameN,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccncc3)CC2)c2cccc3cccnc23)cc1
InChIInChI=1S/C32H34N4O/c1-3-36(4-2)32(37)28-12-10-25(11-13-28)30(29-9-5-7-27-8-6-18-34-31(27)29)26-16-21-35(22-17-26)23-24-14-19-33-20-15-24/h5-15,18-20H,3-4,16-17,21-23H2,1-2H3
InChIKeyRFICPLWPIWVNPN-UHFFFAOYSA-N
XLogP6.21
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[bromo-[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]methyl]-N,N-diethylbenzamide
CID 67092079
4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 10226133
4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide
CID 23435903
2-[methyl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzoyl]amino]ethyl hydrogen sulfate
CID 156613967
4-[(4-benzylpiperazin-1-yl)-quinolin-8-ylmethyl]-N,N-diethylbenzamide;dihydrochloride
CID 22677861
N,N-diethyl-4-[(3-fluorophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]benzamide
CID 57392492
4-[[4-[(4-iodophenyl)-quinolin-8-ylmethylidene]piperidin-1-yl]methyl]-1,3-thiazole
CID 56935257
methyl N-[2-[[4-(diethylcarbamoyl)phenyl]-[1-(pyridin-2-ylmethyl)piperidin-4-ylidene]methyl]phenyl]carbamate
CID 11191502
N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]-N-(1,1,2,2-tetradeuterio-2-hydroxyethyl)benzamide;2,2,2-trifluoroacetic acid
CID 56935387
N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10297282
4-[(2-acetamidophenyl)-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-ylidene]methyl]-N,N-diethylbenzamide
CID 11306644
3-[[4-(diethylcarbamoyl)phenyl]-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10277998

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide (CID 10117292) is N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CCN(Cc3ccncc3)CC2)c2cccc3cccnc23)cc1.
What is the InChIKey of N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide?
The InChIKey is RFICPLWPIWVNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O/c1-3-36(4-2)32(37)28-12-10-25(11-13-28)30(29-9-5-7-27-8-6-18-34-31(27)29)26-16-21-35(22-17-26)23-24-14-19-33-20-15-24/h5-15,18-20H,3-4,16-17,21-23H2,1-2H3.
What are the key properties of N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide?
N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide has a molecular weight of 490.65 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide is sourced from PubChem (CID 10117292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).