N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide

C25H29N3O4 — CID 3762053

IUPACN-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide
SMILESCOc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C25H29N3O4/c1-30-21-8-10-24(31-2)20(17-21)18-28(12-11-27-13-15-32-16-14-27)25(29)23-9-7-19-5-3-4-6-22(19)26-23/h3-10,17H,11-16,18H2,1-2H3
InChIKeyONNWFQCOPLITJQ-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.23
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide (PubChem CID 3762053) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide
PubChem CID3762053
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide
SMILESCOc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C25H29N3O4/c1-30-21-8-10-24(31-2)20(17-21)18-28(12-11-27-13-15-32-16-14-27)25(29)23-9-7-19-5-3-4-6-22(19)26-23/h3-10,17H,11-16,18H2,1-2H3
InChIKeyONNWFQCOPLITJQ-UHFFFAOYSA-N
XLogP3.23
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 3837441
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)quinoline-2-carboxamide
CID 90607272
2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42833797
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 3784523
2-(2-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
CID 110753277
2-[[(2,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-ethyl-1,3-oxazole-4-carboxamide
CID 42833773
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113117675
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 4622864
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 44933146
N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 42700833
1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42695927

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide (CID 3762053) is N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide is COc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)c2ccc3ccccc3n2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide?
The InChIKey is ONNWFQCOPLITJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-30-21-8-10-24(31-2)20(17-21)18-28(12-11-27-13-15-32-16-14-27)25(29)23-9-7-19-5-3-4-6-22(19)26-23/h3-10,17H,11-16,18H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide is sourced from PubChem (CID 3762053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).