N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide

C20H26N2O3 — CID 125165062

IUPACN-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide
SMILESCCN(C[C@H]1CCCCO1)C(=O)c1cc(C)nc2cc(OC)ccc12
InChIInChI=1S/C20H26N2O3/c1-4-22(13-16-7-5-6-10-25-16)20(23)18-11-14(2)21-19-12-15(24-3)8-9-17(18)19/h8-9,11-12,16H,4-7,10,13H2,1-3H3/t16-/m1/s1
InChIKeyAZLFNVGXCOETKT-MRXNPFEDSA-N
MW342.44 g/mol
LogP3.58
Rot. Bonds5

About N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide

N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide (PubChem CID 125165062) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide
PubChem CID125165062
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide
SMILESCCN(C[C@H]1CCCCO1)C(=O)c1cc(C)nc2cc(OC)ccc12
InChIInChI=1S/C20H26N2O3/c1-4-22(13-16-7-5-6-10-25-16)20(23)18-11-14(2)21-19-12-15(24-3)8-9-17(18)19/h8-9,11-12,16H,4-7,10,13H2,1-3H3/t16-/m1/s1
InChIKeyAZLFNVGXCOETKT-MRXNPFEDSA-N
XLogP3.58
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
CID 56803297
N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 45174732
N-ethyl-4-(4-methoxy-2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 126443399
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
N-ethyl-7-methoxy-2-methyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-3-carboxamide
CID 94799893
N-ethyl-3-hydroxy-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 90653439
4-chloro-N-ethyl-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81226969
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 131939873
N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide
CID 99927726
N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide
CID 125169183
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide?
The IUPAC name of N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide (CID 125165062) is N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide?
The canonical SMILES for N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide is CCN(C[C@H]1CCCCO1)C(=O)c1cc(C)nc2cc(OC)ccc12.
What is the InChIKey of N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide?
The InChIKey is AZLFNVGXCOETKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-22(13-16-7-5-6-10-25-16)20(23)18-11-14(2)21-19-12-15(24-3)8-9-17(18)19/h8-9,11-12,16H,4-7,10,13H2,1-3H3/t16-/m1/s1.
What are the key properties of N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide?
N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 125165062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).