N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C16H22N2O3 — CID 104761389

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCOC1(CNC(=O)c2ccc3c(c2)CCCN3)CCOC1
InChIInChI=1S/C16H22N2O3/c1-20-16(6-8-21-11-16)10-18-15(19)13-4-5-14-12(9-13)3-2-7-17-14/h4-5,9,17H,2-3,6-8,10-11H2,1H3,(H,18,19)
InChIKeyJFZOMDUSYPEPCZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.58
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 104761389) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID104761389
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCOC1(CNC(=O)c2ccc3c(c2)CCCN3)CCOC1
InChIInChI=1S/C16H22N2O3/c1-20-16(6-8-21-11-16)10-18-15(19)13-4-5-14-12(9-13)3-2-7-17-14/h4-5,9,17H,2-3,6-8,10-11H2,1H3,(H,18,19)
InChIKeyJFZOMDUSYPEPCZ-UHFFFAOYSA-N
XLogP1.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104709027
4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 104765742
N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide
CID 104764689
3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758337
N-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118425
5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide
CID 104708936
N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61024481
N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106116805
N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118334
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 104761389) is N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is COC1(CNC(=O)c2ccc3c(c2)CCCN3)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is JFZOMDUSYPEPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-16(6-8-21-11-16)10-18-15(19)13-4-5-14-12(9-13)3-2-7-17-14/h4-5,9,17H,2-3,6-8,10-11H2,1H3,(H,18,19).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 104761389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).