ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate

C27H34N4O2 — CID 45238340

IUPACethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3ccc(C)cc3cc2CNCC(C)c2ccccc2)CC1
InChIInChI=1S/C27H34N4O2/c1-4-33-27(32)31-14-12-30(13-15-31)26-24(17-23-16-20(2)10-11-25(23)29-26)19-28-18-21(3)22-8-6-5-7-9-22/h5-11,16-17,21,28H,4,12-15,18-19H2,1-3H3
InChIKeyFRUWZMUWVVXSGA-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.72
Rot. Bonds7

About ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate

ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate (PubChem CID 45238340) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate
PubChem CID45238340
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Nameethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3ccc(C)cc3cc2CNCC(C)c2ccccc2)CC1
InChIInChI=1S/C27H34N4O2/c1-4-33-27(32)31-14-12-30(13-15-31)26-24(17-23-16-20(2)10-11-25(23)29-26)19-28-18-21(3)22-8-6-5-7-9-22/h5-11,16-17,21,28H,4,12-15,18-19H2,1-3H3
InChIKeyFRUWZMUWVVXSGA-UHFFFAOYSA-N
XLogP4.72
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[3-[[2-(4-chlorophenyl)ethylamino]methyl]-6-methylquinolin-2-yl]piperazine-1-carboxylate
CID 25327558
2-phenyl-N-[(6-pyrrolidin-1-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]propan-1-amine
CID 45178837
ethyl 4-[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]piperazine-1-carboxylate
CID 111162898
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[2-phenyl-6-(2-phenylpropylamino)pyrimidine-4-carbonyl]amino]pentanoic acid
CID 67463129
5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[[2-phenyl-6-(2-phenylpropylamino)pyrimidine-4-carbonyl]amino]pentanoic acid
CID 67463134
ethyl 4-[2-(benzhydrylamino)acetyl]piperazine-1-carboxylate
CID 8596025
ethyl 4-[2-methyl-6-(1-phenylethylcarbamoyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 109369256
ethyl 4-[2-(2-methylpropylamino)-6-phenylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112933843
N-[(2-chloro-4-methylphenyl)methyl]-2-phenylpropan-1-amine
CID 106863140
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
ethyl 4-[3-(1-phenylethylamino)propanoyl]piperazine-1-carboxylate
CID 109020253
ethyl 4-[4-[4-(2-phenylpropylamino)piperidin-1-yl]benzoyl]piperazine-1-carboxylate
CID 45174868

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate (CID 45238340) is ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc3ccc(C)cc3cc2CNCC(C)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate?
The InChIKey is FRUWZMUWVVXSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-4-33-27(32)31-14-12-30(13-15-31)26-24(17-23-16-20(2)10-11-25(23)29-26)19-28-18-21(3)22-8-6-5-7-9-22/h5-11,16-17,21,28H,4,12-15,18-19H2,1-3H3.
What are the key properties of ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate?
ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate has a molecular weight of 446.60 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-methyl-3-[(2-phenylpropylamino)methyl]quinolin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 45238340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).