N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide

C14H18N2O2 — CID 55138702

IUPACN-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)C1CCOC1
InChIInChI=1S/C14H18N2O2/c17-14(11-5-7-18-9-11)16-12-3-4-13-10(8-12)2-1-6-15-13/h3-4,8,11,15H,1-2,5-7,9H2,(H,16,17)
InChIKeyQERVJJMVRVENEP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.02
Rot. Bonds2

About N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide

N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide (PubChem CID 55138702) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide
PubChem CID55138702
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2)C1CCOC1
InChIInChI=1S/C14H18N2O2/c17-14(11-5-7-18-9-11)16-12-3-4-13-10(8-12)2-1-6-15-13/h3-4,8,11,15H,1-2,5-7,9H2,(H,16,17)
InChIKeyQERVJJMVRVENEP-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide (CID 55138702) is N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide is O=C(Nc1ccc2c(c1)CCCN2)C1CCOC1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide?
The InChIKey is QERVJJMVRVENEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(11-5-7-18-9-11)16-12-3-4-13-10(8-12)2-1-6-15-13/h3-4,8,11,15H,1-2,5-7,9H2,(H,16,17).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide?
N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide is sourced from PubChem (CID 55138702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).