methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate

C28H32N4O4 — CID 55493975

IUPACmethyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN2CCN(C(=O)CN3CCOCC3)CC2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C28H32N4O4/c1-35-28(34)27-24(29-23-10-6-5-9-22(23)26(27)21-7-3-2-4-8-21)19-30-11-13-32(14-12-30)25(33)20-31-15-17-36-18-16-31/h2-10H,11-20H2,1H3
InChIKeyFADRYCTZNXYPST-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.66
Rot. Bonds6

About methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate

methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate (PubChem CID 55493975) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
PubChem CID55493975
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Namemethyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
SMILESCOC(=O)c1c(CN2CCN(C(=O)CN3CCOCC3)CC2)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C28H32N4O4/c1-35-28(34)27-24(29-23-10-6-5-9-22(23)26(27)21-7-3-2-4-8-21)19-30-11-13-32(14-12-30)25(33)20-31-15-17-36-18-16-31/h2-10H,11-20H2,1H3
InChIKeyFADRYCTZNXYPST-UHFFFAOYSA-N
XLogP2.66
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate with MolForge

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Related Compounds

2-(morpholin-4-ylmethyl)-3-phenylquinoline-4-carboxamide
CID 131964415
methyl 2-[[(3S)-3-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 8545211
1-morpholin-4-yl-2-[4-[(4-phenylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
CID 37269145
methyl 2-[[(2R)-2-carbamoylpiperidin-1-yl]methyl]-4-phenylquinoline-3-carboxylate
CID 26623752
ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate
CID 18191638
methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 18198896
methyl 2-(azocan-1-ylmethyl)-4-methylquinoline-3-carboxylate
CID 8679831
ethyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-1-benzofuran-3-carboxylate
CID 49229636
ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)quinoline-3-carboxylate
CID 19032367
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate
CID 55536184

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate?
The IUPAC name of methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate (CID 55493975) is methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate?
The canonical SMILES for methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate is COC(=O)c1c(CN2CCN(C(=O)CN3CCOCC3)CC2)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate?
The InChIKey is FADRYCTZNXYPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-35-28(34)27-24(29-23-10-6-5-9-22(23)26(27)21-7-3-2-4-8-21)19-30-11-13-32(14-12-30)25(33)20-31-15-17-36-18-16-31/h2-10H,11-20H2,1H3.
What are the key properties of methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate?
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate has a molecular weight of 488.59 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate is sourced from PubChem (CID 55493975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).