N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide

C24H26N2O4 — CID 55708234

IUPACN-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C)nc3ccccc23)ccc1OCC1CCCO1
InChIInChI=1S/C24H26N2O4/c1-16-12-20(19-7-3-4-8-21(19)26-16)24(27)25-14-17-9-10-22(23(13-17)28-2)30-15-18-6-5-11-29-18/h3-4,7-10,12-13,18H,5-6,11,14-15H2,1-2H3,(H,25,27)
InChIKeyKRMHFXMGBICWJZ-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.04
Rot. Bonds7

About N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide

N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide (PubChem CID 55708234) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide
PubChem CID55708234
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide
SMILESCOc1cc(CNC(=O)c2cc(C)nc3ccccc23)ccc1OCC1CCCO1
InChIInChI=1S/C24H26N2O4/c1-16-12-20(19-7-3-4-8-21(19)26-16)24(27)25-14-17-9-10-22(23(13-17)28-2)30-15-18-6-5-11-29-18/h3-4,7-10,12-13,18H,5-6,11,14-15H2,1-2H3,(H,25,27)
InChIKeyKRMHFXMGBICWJZ-UHFFFAOYSA-N
XLogP4.04
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55707119
5-(1,3-benzothiazol-2-yl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46466481
2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 42961589
2-(2-amino-2-oxoethyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 55715976
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
CID 94025634
N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 55707327
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 55708262
5-ethoxy-4-methoxy-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-nitrobenzamide
CID 55708025
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-propylsulfanylacetamide
CID 55839780

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide (CID 55708234) is N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide is COc1cc(CNC(=O)c2cc(C)nc3ccccc23)ccc1OCC1CCCO1.
What is the InChIKey of N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is KRMHFXMGBICWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16-12-20(19-7-3-4-8-21(19)26-16)24(27)25-14-17-9-10-22(23(13-17)28-2)30-15-18-6-5-11-29-18/h3-4,7-10,12-13,18H,5-6,11,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide?
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 55708234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).