ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate

C26H33N5O4 — CID 25293677

IUPACethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2nc(N(C)Cc3ccc(OC)c(OC)c3)c3ccccc3n2)CC1
InChIInChI=1S/C26H33N5O4/c1-5-35-26(32)31-14-12-30(13-15-31)18-24-27-21-9-7-6-8-20(21)25(28-24)29(2)17-19-10-11-22(33-3)23(16-19)34-4/h6-11,16H,5,12-15,17-18H2,1-4H3
InChIKeyABVGHLSIJDBHAB-UHFFFAOYSA-N
MW479.58 g/mol
LogP3.56
Rot. Bonds8

About ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate

ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate (PubChem CID 25293677) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate
PubChem CID25293677
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Nameethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2nc(N(C)Cc3ccc(OC)c(OC)c3)c3ccccc3n2)CC1
InChIInChI=1S/C26H33N5O4/c1-5-35-26(32)31-14-12-30(13-15-31)18-24-27-21-9-7-6-8-20(21)25(28-24)29(2)17-19-10-11-22(33-3)23(16-19)34-4/h6-11,16H,5,12-15,17-18H2,1-4H3
InChIKeyABVGHLSIJDBHAB-UHFFFAOYSA-N
XLogP3.56
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl (2S)-1-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperidine-2-carboxylate
CID 29084724
2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenylquinazoline
CID 37254305
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine
CID 126465938
4-[(4-methylquinazolin-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 75386144
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 37132776
N-benzyl-3-[3-[[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 146053002
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 31332821
(4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
CID 6733025
ethyl 4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808927
ethyl 4-[2-[benzyl(methyl)amino]-6-phenylpyridine-3-carbonyl]piperazine-1-carboxylate
CID 118758221
(2R)-2-hydroxy-2-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]acetamide
CID 129490272

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate (CID 25293677) is ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2nc(N(C)Cc3ccc(OC)c(OC)c3)c3ccccc3n2)CC1.
What is the InChIKey of ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate?
The InChIKey is ABVGHLSIJDBHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-5-35-26(32)31-14-12-30(13-15-31)18-24-27-21-9-7-6-8-20(21)25(28-24)29(2)17-19-10-11-22(33-3)23(16-19)34-4/h6-11,16H,5,12-15,17-18H2,1-4H3.
What are the key properties of ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate?
ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate has a molecular weight of 479.58 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[(3,4-dimethoxyphenyl)methyl-methylamino]quinazolin-2-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 25293677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).