N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C15H20N2O3 — CID 61024481

IUPACN-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NCC1COCCO1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H20N2O3/c18-15(17-9-13-10-19-6-7-20-13)12-3-4-14-11(8-12)2-1-5-16-14/h3-4,8,13,16H,1-2,5-7,9-10H2,(H,17,18)
InChIKeyFMZBYALZWXDNOJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.19
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 61024481) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID61024481
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NCC1COCCO1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H20N2O3/c18-15(17-9-13-10-19-6-7-20-13)12-3-4-14-11(8-12)2-1-5-16-14/h3-4,8,13,16H,1-2,5-7,9-10H2,(H,17,18)
InChIKeyFMZBYALZWXDNOJ-UHFFFAOYSA-N
XLogP1.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614671
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 107389176
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106135432
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 54917511
4-carbamothioyl-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908262
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 107389175
2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18108766
3-bromo-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908965
N-(1,4-dioxan-2-ylmethyl)-3-sulfanylbenzamide
CID 107023717
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63297309
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325638

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 61024481) is N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is O=C(NCC1COCCO1)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is FMZBYALZWXDNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(17-9-13-10-19-6-7-20-13)12-3-4-14-11(8-12)2-1-5-16-14/h3-4,8,13,16H,1-2,5-7,9-10H2,(H,17,18).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 61024481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).