7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione

C16H21N3O3 — CID 52996575

IUPAC7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCC1CC(=O)c2cc(C(=O)N3CCN(C)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C16H21N3O3/c1-10-7-13-11(14(20)8-10)9-12(15(21)17-13)16(22)19-5-3-18(2)4-6-19/h9-10H,3-8H2,1-2H3,(H,17,21)
InChIKeyBPLQIRDAMFSVMX-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.53
Rot. Bonds1

About 7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione

7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 52996575) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID52996575
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCC1CC(=O)c2cc(C(=O)N3CCN(C)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C16H21N3O3/c1-10-7-13-11(14(20)8-10)9-12(15(21)17-13)16(22)19-5-3-18(2)4-6-19/h9-10H,3-8H2,1-2H3,(H,17,21)
InChIKeyBPLQIRDAMFSVMX-UHFFFAOYSA-N
XLogP0.53
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 52996575) is 7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is CC1CC(=O)c2cc(C(=O)N3CCN(C)CC3)c(=O)[nH]c2C1.
What is the InChIKey of 7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is BPLQIRDAMFSVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-7-13-11(14(20)8-10)9-12(15(21)17-13)16(22)19-5-3-18(2)4-6-19/h9-10H,3-8H2,1-2H3,(H,17,21).
What are the key properties of 7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione?
7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 303.36 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-methylpiperazine-1-carbonyl)-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 52996575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).