methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate

C17H24N2O3 — CID 143452425

IUPACmethyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate
SMILESCOC(=O)C1CCc2cc(C)cc(N3CCN(C)CC3)c2O1
InChIInChI=1S/C17H24N2O3/c1-12-10-13-4-5-15(17(20)21-3)22-16(13)14(11-12)19-8-6-18(2)7-9-19/h10-11,15H,4-9H2,1-3H3
InChIKeyRQVVGFYUKLXXCU-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.61
Rot. Bonds2

About methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate

methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate (PubChem CID 143452425) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate
PubChem CID143452425
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate
SMILESCOC(=O)C1CCc2cc(C)cc(N3CCN(C)CC3)c2O1
InChIInChI=1S/C17H24N2O3/c1-12-10-13-4-5-15(17(20)21-3)22-16(13)14(11-12)19-8-6-18(2)7-9-19/h10-11,15H,4-9H2,1-3H3
InChIKeyRQVVGFYUKLXXCU-UHFFFAOYSA-N
XLogP1.61
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate?
The IUPAC name of methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate (CID 143452425) is methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate?
The canonical SMILES for methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate is COC(=O)C1CCc2cc(C)cc(N3CCN(C)CC3)c2O1.
What is the InChIKey of methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate?
The InChIKey is RQVVGFYUKLXXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-10-13-4-5-15(17(20)21-3)22-16(13)14(11-12)19-8-6-18(2)7-9-19/h10-11,15H,4-9H2,1-3H3.
What are the key properties of methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate?
methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-8-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromene-2-carboxylate is sourced from PubChem (CID 143452425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).