methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate

C26H29N3O4 — CID 176803994

IUPACmethyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate
SMILESCOC(=O)c1nc2c(nc1N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)CCCC2
InChIInChI=1S/C26H29N3O4/c1-31-20-12-8-18(9-13-20)16-29(17-19-10-14-21(32-2)15-11-19)25-24(26(30)33-3)27-22-6-4-5-7-23(22)28-25/h8-15H,4-7,16-17H2,1-3H3
InChIKeyMNFSHKHPXDLJLV-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.37
Rot. Bonds8

About methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate

methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate (PubChem CID 176803994) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate
PubChem CID176803994
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Namemethyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate
SMILESCOC(=O)c1nc2c(nc1N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)CCCC2
InChIInChI=1S/C26H29N3O4/c1-31-20-12-8-18(9-13-20)16-29(17-19-10-14-21(32-2)15-11-19)25-24(26(30)33-3)27-22-6-4-5-7-23(22)28-25/h8-15H,4-7,16-17H2,1-3H3
InChIKeyMNFSHKHPXDLJLV-UHFFFAOYSA-N
XLogP4.37
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate with MolForge

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Related Compounds

methyl 5-[bis[(4-methoxyphenyl)methyl]amino]-3-methyl-4,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene-14-carboxylate
CID 118619072
N,N-bis[(4-methoxyphenyl)methyl]-3-prop-1-en-2-ylpyrazin-2-amine
CID 175757168
1-[2-[bis[(4-methoxyphenyl)methyl]amino]-4-[(2,2,5-trimethyl-1,3-dioxan-5-yl)methylamino]-5,6,7,8-tetrahydroquinolin-3-yl]hexan-2-one
CID 158074645
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
methyl 4-[bis[(4-methoxyphenyl)methyl]amino]-1-[4-(2-hydroxyethyl)-2,6-dimethylphenyl]-6-oxopyrimidine-5-carboxylate
CID 172593416
methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate
CID 167037611
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
methyl 4-[bis[(4-methoxyphenyl)methyl]amino]-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[4,5-c]quinoline-2-carboxylate
CID 164596563
ethyl N-[2-[bis[(4-methoxyphenyl)methyl]amino]-6-chloro-3-nitro-4-pyridinyl]carbamate
CID 171429787
methyl 2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423869
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate?
The IUPAC name of methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate (CID 176803994) is methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate.
What is the SMILES notation for methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate?
The canonical SMILES for methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate is COC(=O)c1nc2c(nc1N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)CCCC2.
What is the InChIKey of methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate?
The InChIKey is MNFSHKHPXDLJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-31-20-12-8-18(9-13-20)16-29(17-19-10-14-21(32-2)15-11-19)25-24(26(30)33-3)27-22-6-4-5-7-23(22)28-25/h8-15H,4-7,16-17H2,1-3H3.
What are the key properties of methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate?
methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate has a molecular weight of 447.54 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate is sourced from PubChem (CID 176803994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).