4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide

C28H33N3O5 — CID 45186810

IUPAC4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cc3ccc(OC)cc3nc2N2CCOCC2)CC2CCCO2)cc1
InChIInChI=1S/C28H33N3O5/c1-33-23-8-5-20(6-9-23)28(32)31(19-25-4-3-13-36-25)18-22-16-21-7-10-24(34-2)17-26(21)29-27(22)30-11-14-35-15-12-30/h5-10,16-17,25H,3-4,11-15,18-19H2,1-2H3
InChIKeyVEOLCCBPIIEQNF-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.91
Rot. Bonds8

About 4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide

4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 45186810) has the molecular formula C28H33N3O5 and a molecular weight of 491.59 g/mol. Its IUPAC name is 4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID45186810
Molecular FormulaC28H33N3O5
Molecular Weight491.59 g/mol
Exact Mass491.24
IUPAC Name4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cc3ccc(OC)cc3nc2N2CCOCC2)CC2CCCO2)cc1
InChIInChI=1S/C28H33N3O5/c1-33-23-8-5-20(6-9-23)28(32)31(19-25-4-3-13-36-25)18-22-16-21-7-10-24(34-2)17-26(21)29-27(22)30-11-14-35-15-12-30/h5-10,16-17,25H,3-4,11-15,18-19H2,1-2H3
InChIKeyVEOLCCBPIIEQNF-UHFFFAOYSA-N
XLogP3.91
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26398689
3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 26398686
N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42429857
2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45196925
N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 26335024
2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42166967
2-cyclopentyl-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42169642
N-[[7-fluoro-2-(4-hydroxypiperidin-1-yl)quinolin-3-yl]methyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45175981
3-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 42406671
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 45251568
N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 26349948

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide (CID 45186810) is 4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2cc3ccc(OC)cc3nc2N2CCOCC2)CC2CCCO2)cc1.
What is the InChIKey of 4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is VEOLCCBPIIEQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5/c1-33-23-8-5-20(6-9-23)28(32)31(19-25-4-3-13-36-25)18-22-16-21-7-10-24(34-2)17-26(21)29-27(22)30-11-14-35-15-12-30/h5-10,16-17,25H,3-4,11-15,18-19H2,1-2H3.
What are the key properties of 4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide?
4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 491.59 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 45186810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).