N,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide

C29H36N6O — CID 163840716

IUPACN,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide
SMILESCCN(CC)C(=O)C1=CC=C(C(c2cccc3cccnc23)N2CCN(Cc3ncc[nH]3)CC2)CC1
InChIInChI=1S/C29H36N6O/c1-3-34(4-2)29(36)24-12-10-23(11-13-24)28(25-9-5-7-22-8-6-14-32-27(22)25)35-19-17-33(18-20-35)21-26-30-15-16-31-26/h5-10,12,14-16,28H,3-4,11,13,17-21H2,1-2H3,(H,30,31)
InChIKeyOLSWIIPNXZFTGM-UHFFFAOYSA-N
MW484.65 g/mol
LogP4.33
Rot. Bonds8

About N,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide

N,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 163840716) has the molecular formula C29H36N6O and a molecular weight of 484.65 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide
PubChem CID163840716
Molecular FormulaC29H36N6O
Molecular Weight484.65 g/mol
Exact Mass484.30
IUPAC NameN,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide
SMILESCCN(CC)C(=O)C1=CC=C(C(c2cccc3cccnc23)N2CCN(Cc3ncc[nH]3)CC2)CC1
InChIInChI=1S/C29H36N6O/c1-3-34(4-2)29(36)24-12-10-23(11-13-24)28(25-9-5-7-22-8-6-14-32-27(22)25)35-19-17-33(18-20-35)21-26-30-15-16-31-26/h5-10,12,14-16,28H,3-4,11,13,17-21H2,1-2H3,(H,30,31)
InChIKeyOLSWIIPNXZFTGM-UHFFFAOYSA-N
XLogP4.33
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-benzylpiperazin-1-yl)-quinolin-8-ylmethyl]-N,N-diethylbenzamide;dihydrochloride
CID 22677861
N,N-diethyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;dihydrochloride
CID 22677871
N,N-diethyl-4-[(3-hydroxyphenyl)-[1-(1H-imidazol-2-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 10297282
2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide
CID 174397199
3-[4-(diethylcarbamoyl)-N-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]anilino]-4-fluorobenzamide
CID 10278202
N,N-diethyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide
CID 10117292
[4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 155916152
ethane;1-(1H-imidazol-2-ylmethyl)piperidine
CID 145119254
N-[1H-imidazol-2-yl(quinolin-8-yl)methyl]ethanamine
CID 81231091
4-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-3-methylbenzoic acid
CID 146143215
[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-methylcarbamic acid
CID 67242524
N-[(4S,5S)-5-hydroxy-1-(1H-imidazol-2-ylmethyl)azepan-4-yl]acetamide
CID 110126858

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide (CID 163840716) is N,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide is CCN(CC)C(=O)C1=CC=C(C(c2cccc3cccnc23)N2CCN(Cc3ncc[nH]3)CC2)CC1.
What is the InChIKey of N,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is OLSWIIPNXZFTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O/c1-3-34(4-2)29(36)24-12-10-23(11-13-24)28(25-9-5-7-22-8-6-14-32-27(22)25)35-19-17-33(18-20-35)21-26-30-15-16-31-26/h5-10,12,14-16,28H,3-4,11,13,17-21H2,1-2H3,(H,30,31).
What are the key properties of N,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide?
N,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 484.65 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 163840716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).