N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

C16H22N2O2 — CID 62850075

IUPACN-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCC1CCCOC1)c1cccc2c1CCCN2
InChIInChI=1S/C16H22N2O2/c19-16(18-10-12-4-3-9-20-11-12)14-5-1-7-15-13(14)6-2-8-17-15/h1,5,7,12,17H,2-4,6,8-11H2,(H,18,19)
InChIKeyKQAWKRHRMKOSFH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.20
Rot. Bonds3

About N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 62850075) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID62850075
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCC1CCCOC1)c1cccc2c1CCCN2
InChIInChI=1S/C16H22N2O2/c19-16(18-10-12-4-3-9-20-11-12)14-5-1-7-15-13(14)6-2-8-17-15/h1,5,7,12,17H,2-4,6,8-11H2,(H,18,19)
InChIKeyKQAWKRHRMKOSFH-UHFFFAOYSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 62850075) is N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is O=C(NCC1CCCOC1)c1cccc2c1CCCN2.
What is the InChIKey of N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is KQAWKRHRMKOSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(18-10-12-4-3-9-20-11-12)14-5-1-7-15-13(14)6-2-8-17-15/h1,5,7,12,17H,2-4,6,8-11H2,(H,18,19).
What are the key properties of N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 62850075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).