N-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide

C31H30N4O6 — CID 45217717

IUPACN-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c2nc(N3CCOCC3)c(CN(Cc3ccco3)C(=O)c3cc(-c4ccccc4)no3)cc12
InChIInChI=1S/C31H30N4O6/c1-37-26-10-11-27(38-2)29-24(26)17-22(30(32-29)34-12-15-39-16-13-34)19-35(20-23-9-6-14-40-23)31(36)28-18-25(33-41-28)21-7-4-3-5-8-21/h3-11,14,17-18H,12-13,15-16,19-20H2,1-2H3
InChIKeyMCWZOVIUMHDLDB-UHFFFAOYSA-N
MW554.60 g/mol
LogP5.18
Rot. Bonds9

About N-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide

N-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 45217717) has the molecular formula C31H30N4O6 and a molecular weight of 554.60 g/mol. Its IUPAC name is N-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID45217717
Molecular FormulaC31H30N4O6
Molecular Weight554.60 g/mol
Exact Mass554.22
IUPAC NameN-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(OC)c2nc(N3CCOCC3)c(CN(Cc3ccco3)C(=O)c3cc(-c4ccccc4)no3)cc12
InChIInChI=1S/C31H30N4O6/c1-37-26-10-11-27(38-2)29-24(26)17-22(30(32-29)34-12-15-39-16-13-34)19-35(20-23-9-6-14-40-23)31(36)28-18-25(33-41-28)21-7-4-3-5-8-21/h3-11,14,17-18H,12-13,15-16,19-20H2,1-2H3
InChIKeyMCWZOVIUMHDLDB-UHFFFAOYSA-N
XLogP5.18
TPSA103.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.60
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42844038
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-(furan-2-ylmethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 28640566
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-(furan-2-ylmethyl)oxolane-2-carboxamide
CID 45253101
N-[[3-(4-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 46023511
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 46481979
N-[[5,8-dimethoxy-2-(2-methoxyphenyl)quinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 45244682
N-benzyl-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
CID 46150971
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-phenylbenzamide
CID 30710585
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4118969
4-fluoro-N-(furan-2-ylmethyl)-N-[[3-(3-methylphenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 46028479
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710
N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907635

Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide (CID 45217717) is N-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide is COc1ccc(OC)c2nc(N3CCOCC3)c(CN(Cc3ccco3)C(=O)c3cc(-c4ccccc4)no3)cc12.
What is the InChIKey of N-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is MCWZOVIUMHDLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O6/c1-37-26-10-11-27(38-2)29-24(26)17-22(30(32-29)34-12-15-39-16-13-34)19-35(20-23-9-6-14-40-23)31(36)28-18-25(33-41-28)21-7-4-3-5-8-21/h3-11,14,17-18H,12-13,15-16,19-20H2,1-2H3.
What are the key properties of N-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide?
N-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 554.60 g/mol, XLogP of 5.18, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,8-dimethoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(furan-2-ylmethyl)-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45217717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).