N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C27H33N3O5 — CID 26352971

IUPACN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2cc3c(OC)ccc(OC)c3nc2N(C)C)C[C@H]2CCCO2)c1
InChIInChI=1S/C27H33N3O5/c1-29(2)26-19(15-22-23(33-4)11-12-24(34-5)25(22)28-26)16-30(17-21-10-7-13-35-21)27(31)18-8-6-9-20(14-18)32-3/h6,8-9,11-12,14-15,21H,7,10,13,16-17H2,1-5H3/t21-/m1/s1
InChIKeyUFNDONZPFUISDU-OAQYLSRUSA-N
MW479.58 g/mol
LogP4.15
Rot. Bonds9

About N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide

N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 26352971) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID26352971
Molecular FormulaC27H33N3O5
Molecular Weight479.58 g/mol
Exact Mass479.24
IUPAC NameN-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCOc1cccc(C(=O)N(Cc2cc3c(OC)ccc(OC)c3nc2N(C)C)C[C@H]2CCCO2)c1
InChIInChI=1S/C27H33N3O5/c1-29(2)26-19(15-22-23(33-4)11-12-24(34-5)25(22)28-26)16-30(17-21-10-7-13-35-21)27(31)18-8-6-9-20(14-18)32-3/h6,8-9,11-12,14-15,21H,7,10,13,16-17H2,1-5H3/t21-/m1/s1
InChIKeyUFNDONZPFUISDU-OAQYLSRUSA-N
XLogP4.15
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-(2-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 26397869
N-[[2-(dimethylamino)-8-methylquinolin-3-yl]methyl]-2,3,4-trimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45204109
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143290
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-(furan-2-ylmethyl)oxolane-2-carboxamide
CID 45253101
N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 45244682
N-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide
CID 44779998
3-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 124611067
3-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 666781
3-iodo-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967993
[4-[[(3-methoxybenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl] methanesulfonate
CID 7482553
[4-[[(3-methoxybenzoyl)-(oxolan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 3364306

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 26352971) is N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide is COc1cccc(C(=O)N(Cc2cc3c(OC)ccc(OC)c3nc2N(C)C)C[C@H]2CCCO2)c1.
What is the InChIKey of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is UFNDONZPFUISDU-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-29(2)26-19(15-22-23(33-4)11-12-24(34-5)25(22)28-26)16-30(17-21-10-7-13-35-21)27(31)18-8-6-9-20(14-18)32-3/h6,8-9,11-12,14-15,21H,7,10,13,16-17H2,1-5H3/t21-/m1/s1.
What are the key properties of N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 479.58 g/mol, XLogP of 4.15, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 26352971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).