[1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate

C21H26N6O3 — CID 70661906

IUPAC[1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate
SMILESCC(=O)N1c2ccc(-c3ccc(N4CCNCC4)nn3)cc2C(OC(N)=O)CC1C
InChIInChI=1S/C21H26N6O3/c1-13-11-19(30-21(22)29)16-12-15(3-5-18(16)27(13)14(2)28)17-4-6-20(25-24-17)26-9-7-23-8-10-26/h3-6,12-13,19,23H,7-11H2,1-2H3,(H2,22,29)
InChIKeyWQNKGDPEHOUGAO-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.83
Rot. Bonds3

About [1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate

[1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate (PubChem CID 70661906) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is [1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate.

Molecular Properties

Compound Name[1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate
PubChem CID70661906
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name[1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate
SMILESCC(=O)N1c2ccc(-c3ccc(N4CCNCC4)nn3)cc2C(OC(N)=O)CC1C
InChIInChI=1S/C21H26N6O3/c1-13-11-19(30-21(22)29)16-12-15(3-5-18(16)27(13)14(2)28)17-4-6-20(25-24-17)26-9-7-23-8-10-26/h3-6,12-13,19,23H,7-11H2,1-2H3,(H2,22,29)
InChIKeyWQNKGDPEHOUGAO-UHFFFAOYSA-N
XLogP1.83
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate?
The IUPAC name of [1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate (CID 70661906) is [1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate.
What is the SMILES notation for [1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate?
The canonical SMILES for [1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate is CC(=O)N1c2ccc(-c3ccc(N4CCNCC4)nn3)cc2C(OC(N)=O)CC1C.
What is the InChIKey of [1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate?
The InChIKey is WQNKGDPEHOUGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-13-11-19(30-21(22)29)16-12-15(3-5-18(16)27(13)14(2)28)17-4-6-20(25-24-17)26-9-7-23-8-10-26/h3-6,12-13,19,23H,7-11H2,1-2H3,(H2,22,29).
What are the key properties of [1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate?
[1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate has a molecular weight of 410.48 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-acetyl-2-methyl-6-(6-piperazin-1-ylpyridazin-3-yl)-3,4-dihydro-2H-quinolin-4-yl] carbamate is sourced from PubChem (CID 70661906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).