[1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

C28H34N4O3 — CID 118757583

IUPAC[1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCCOc1ccc2nc(N3CCCC3C(=O)N3CCC(OCc4ccccc4)CC3)nc(C)c2c1
InChIInChI=1S/C28H34N4O3/c1-3-34-23-11-12-25-24(18-23)20(2)29-28(30-25)32-15-7-10-26(32)27(33)31-16-13-22(14-17-31)35-19-21-8-5-4-6-9-21/h4-6,8-9,11-12,18,22,26H,3,7,10,13-17,19H2,1-2H3
InChIKeyFWBXMXBJAHOSEX-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.51
Rot. Bonds7

About [1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone

[1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 118757583) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is [1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID118757583
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name[1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCCOc1ccc2nc(N3CCCC3C(=O)N3CCC(OCc4ccccc4)CC3)nc(C)c2c1
InChIInChI=1S/C28H34N4O3/c1-3-34-23-11-12-25-24(18-23)20(2)29-28(30-25)32-15-7-10-26(32)27(33)31-16-13-22(14-17-31)35-19-21-8-5-4-6-9-21/h4-6,8-9,11-12,18,22,26H,3,7,10,13-17,19H2,1-2H3
InChIKeyFWBXMXBJAHOSEX-UHFFFAOYSA-N
XLogP4.51
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
CID 51901047
(2R)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 26281212
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 118754407
[1-(6-ethoxy-4-methylquinazolin-2-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 26358210
6-ethoxy-2-[4-[4-(2-methoxyethoxy)piperidin-1-yl]azepan-1-yl]-4-methylquinazoline
CID 45168993
[(2R)-1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methanone
CID 42483271
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45222783
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
4-[1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]thiomorpholine
CID 118758928
1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(3-pyridin-3-ylpropyl)azepan-4-amine
CID 45196940
4-[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 45171634
2-azabicyclo[2.2.1]heptan-2-yl-[1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
CID 45217025

Frequently Asked Questions

What is the IUPAC name of [1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of [1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone (CID 118757583) is [1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for [1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone is CCOc1ccc2nc(N3CCCC3C(=O)N3CCC(OCc4ccccc4)CC3)nc(C)c2c1.
What is the InChIKey of [1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is FWBXMXBJAHOSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-3-34-23-11-12-25-24(18-23)20(2)29-28(30-25)32-15-7-10-26(32)27(33)31-16-13-22(14-17-31)35-19-21-8-5-4-6-9-21/h4-6,8-9,11-12,18,22,26H,3,7,10,13-17,19H2,1-2H3.
What are the key properties of [1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone?
[1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 474.61 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethoxy-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 118757583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).