ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate

C21H27N5O2 — CID 112923366

IUPACethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)cc(N3CCCc4ccccc43)n2)CC1
InChIInChI=1S/C21H27N5O2/c1-3-28-21(27)25-13-11-24(12-14-25)20-22-16(2)15-19(23-20)26-10-6-8-17-7-4-5-9-18(17)26/h4-5,7,9,15H,3,6,8,10-14H2,1-2H3
InChIKeyYEINXWHNSDQVEB-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.15
Rot. Bonds3

About ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate

ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate (PubChem CID 112923366) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
PubChem CID112923366
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Nameethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)cc(N3CCCc4ccccc43)n2)CC1
InChIInChI=1S/C21H27N5O2/c1-3-28-21(27)25-13-11-24(12-14-25)20-22-16(2)15-19(23-20)26-10-6-8-17-7-4-5-9-18(17)26/h4-5,7,9,15H,3,6,8,10-14H2,1-2H3
InChIKeyYEINXWHNSDQVEB-UHFFFAOYSA-N
XLogP3.15
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]morpholine
CID 112912308
1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112914025
ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19147410
ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 112923357
ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956946
ethyl 4-[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923280
ethyl 4-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112917074
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethoxyphenyl)-6-methylpyrimidin-2-amine
CID 112927865
ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109194191
ethyl 2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877329
4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenylpyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112936636
2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194614

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate (CID 112923366) is ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(C)cc(N3CCCc4ccccc43)n2)CC1.
What is the InChIKey of ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate?
The InChIKey is YEINXWHNSDQVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-3-28-21(27)25-13-11-24(12-14-25)20-22-16(2)15-19(23-20)26-10-6-8-17-7-4-5-9-18(17)26/h4-5,7,9,15H,3,6,8,10-14H2,1-2H3.
What are the key properties of ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate?
ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 112923366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).