N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide

C14H20N2O2 — CID 62850263

IUPACN-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCC(O)CN(C)C(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H20N2O2/c1-10(17)9-16(2)14(18)12-5-3-7-13-11(12)6-4-8-15-13/h3,5,7,10,15,17H,4,6,8-9H2,1-2H3
InChIKeyHGWAOMUIGMUJKY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.50
Rot. Bonds3

About N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 62850263) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID62850263
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCC(O)CN(C)C(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H20N2O2/c1-10(17)9-16(2)14(18)12-5-3-7-13-11(12)6-4-8-15-13/h3,5,7,10,15,17H,4,6,8-9H2,1-2H3
InChIKeyHGWAOMUIGMUJKY-UHFFFAOYSA-N
XLogP1.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 62850263) is N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide is CC(O)CN(C)C(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is HGWAOMUIGMUJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(17)9-16(2)14(18)12-5-3-7-13-11(12)6-4-8-15-13/h3,5,7,10,15,17H,4,6,8-9H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 62850263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).