N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide

C27H34N4O3S — CID 46232860

IUPACN-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C27H34N4O3S/c1-34-25-10-3-2-9-24(25)30-19-17-29(18-20-30)15-6-16-31(21-22-12-13-22)35(32,33)26-11-4-7-23-8-5-14-28-27(23)26/h2-5,7-11,14,22H,6,12-13,15-21H2,1H3
InChIKeyBUZRERKWTGJPRW-UHFFFAOYSA-N
MW494.66 g/mol
LogP3.86
Rot. Bonds10

About N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide

N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide (PubChem CID 46232860) has the molecular formula C27H34N4O3S and a molecular weight of 494.66 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide
PubChem CID46232860
Molecular FormulaC27H34N4O3S
Molecular Weight494.66 g/mol
Exact Mass494.24
IUPAC NameN-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C27H34N4O3S/c1-34-25-10-3-2-9-24(25)30-19-17-29(18-20-30)15-6-16-31(21-22-12-13-22)35(32,33)26-11-4-7-23-8-5-14-28-27(23)26/h2-5,7-11,14,22H,6,12-13,15-21H2,1H3
InChIKeyBUZRERKWTGJPRW-UHFFFAOYSA-N
XLogP3.86
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 158170125
N-(cyclopropylmethyl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]quinoline-8-sulfonamide
CID 24732359
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473475
N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride
CID 21473401
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine
CID 110624557
(2R)-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 95035159
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide
CID 78387585
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 10623523
1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 71752990
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide (CID 46232860) is N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide is COc1ccccc1N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide?
The InChIKey is BUZRERKWTGJPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3S/c1-34-25-10-3-2-9-24(25)30-19-17-29(18-20-30)15-6-16-31(21-22-12-13-22)35(32,33)26-11-4-7-23-8-5-14-28-27(23)26/h2-5,7-11,14,22H,6,12-13,15-21H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide?
N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide has a molecular weight of 494.66 g/mol, XLogP of 3.86, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide is sourced from PubChem (CID 46232860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).