3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate

C26H32N4O5 — CID 23176302

IUPAC3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCCCN2CCN(c3cccc4cccnc34)CC2)cc(OC)c1OC
InChIInChI=1S/C26H32N4O5/c1-32-22-17-20(18-23(33-2)25(22)34-3)28-26(31)35-16-6-11-29-12-14-30(15-13-29)21-9-4-7-19-8-5-10-27-24(19)21/h4-5,7-10,17-18H,6,11-16H2,1-3H3,(H,28,31)
InChIKeyBZBAKXNSYSFXQG-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.02
Rot. Bonds9

About 3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate

3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate (PubChem CID 23176302) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate.

Molecular Properties

Compound Name3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate
PubChem CID23176302
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OCCCN2CCN(c3cccc4cccnc34)CC2)cc(OC)c1OC
InChIInChI=1S/C26H32N4O5/c1-32-22-17-20(18-23(33-2)25(22)34-3)28-26(31)35-16-6-11-29-12-14-30(15-13-29)21-9-4-7-19-8-5-10-27-24(19)21/h4-5,7-10,17-18H,6,11-16H2,1-3H3,(H,28,31)
InChIKeyBZBAKXNSYSFXQG-UHFFFAOYSA-N
XLogP4.02
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(4-pentylpiperazin-1-yl)quinoline
CID 20649338
3-(4-pyridin-2-ylpiperazin-1-yl)propyl 3,4,5-trimethoxybenzoate;dihydrochloride
CID 13098063
N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
3-(4-naphthalen-1-ylpiperazin-1-yl)propyl N-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamate
CID 19794342
[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]imidazo[4,5-b]pyridin-2-yl]urea
CID 69452906
ethyl N-[3-methoxy-4-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
CID 12838126
1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 5309619
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one
CID 10527744
ethyl N-[4-[3-[4-(3-fluorophenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]carbamate
CID 12838128
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4,5-trimethoxybenzamide
CID 42224164
2-hydroxyethyl N-(3,4,5-trimethoxyphenyl)carbamate
CID 79346258

Frequently Asked Questions

What is the IUPAC name of 3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate?
The IUPAC name of 3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate (CID 23176302) is 3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate.
What is the SMILES notation for 3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate?
The canonical SMILES for 3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate is COc1cc(NC(=O)OCCCN2CCN(c3cccc4cccnc34)CC2)cc(OC)c1OC.
What is the InChIKey of 3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate?
The InChIKey is BZBAKXNSYSFXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-32-22-17-20(18-23(33-2)25(22)34-3)28-26(31)35-16-6-11-29-12-14-30(15-13-29)21-9-4-7-19-8-5-10-27-24(19)21/h4-5,7-10,17-18H,6,11-16H2,1-3H3,(H,28,31).
What are the key properties of 3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate?
3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate has a molecular weight of 480.57 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-quinolin-8-ylpiperazin-1-yl)propyl N-(3,4,5-trimethoxyphenyl)carbamate is sourced from PubChem (CID 23176302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).