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

C16H22N2O3 — CID 104761425

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCOC1(CNC(=O)C2CCNc3ccccc32)CCOC1
InChIInChI=1S/C16H22N2O3/c1-20-16(7-9-21-11-16)10-18-15(19)13-6-8-17-14-5-3-2-4-12(13)14/h2-5,13,17H,6-11H2,1H3,(H,18,19)
InChIKeyDBJFVIBVWVPGEW-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.51
Rot. Bonds4

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

N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 104761425) 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-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID104761425
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCOC1(CNC(=O)C2CCNc3ccccc32)CCOC1
InChIInChI=1S/C16H22N2O3/c1-20-16(7-9-21-11-16)10-18-15(19)13-6-8-17-14-5-3-2-4-12(13)14/h2-5,13,17H,6-11H2,1H3,(H,18,19)
InChIKeyDBJFVIBVWVPGEW-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-N-[(4-methoxyoxan-4-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 99837880
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpyrrolidine-3-carboxamide
CID 104761454
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 102905910
N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106116712
N-[(3-methoxyoxolan-3-yl)methyl]morpholine-3-carboxamide
CID 113450266
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpiperidine-3-carboxamide
CID 104762009
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104761389
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106047714
N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 82726090
1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea
CID 104762349

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 104761425) is N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide is COC1(CNC(=O)C2CCNc3ccccc32)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is DBJFVIBVWVPGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-16(7-9-21-11-16)10-18-15(19)13-6-8-17-14-5-3-2-4-12(13)14/h2-5,13,17H,6-11H2,1H3,(H,18,19).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.51, 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-4-carboxamide is sourced from PubChem (CID 104761425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).