N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide

C13H18N2O2 — CID 107219186

IUPACN-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESC[C@@H](CO)NC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C13H18N2O2/c1-9(8-16)15-13(17)11-6-10-4-2-3-5-12(10)14-7-11/h2-5,9,11,14,16H,6-8H2,1H3,(H,15,17)/t9-,11?/m0/s1
InChIKeyFEYXGEPUVPTSDH-FTNKSUMCSA-N
MW234.30 g/mol
LogP0.77
Rot. Bonds3

About N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 107219186) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID107219186
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESC[C@@H](CO)NC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C13H18N2O2/c1-9(8-16)15-13(17)11-6-10-4-2-3-5-12(10)14-7-11/h2-5,9,11,14,16H,6-8H2,1H3,(H,15,17)/t9-,11?/m0/s1
InChIKeyFEYXGEPUVPTSDH-FTNKSUMCSA-N
XLogP0.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 107219186) is N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is C[C@@H](CO)NC(=O)C1CNc2ccccc2C1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is FEYXGEPUVPTSDH-FTNKSUMCSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(8-16)15-13(17)11-6-10-4-2-3-5-12(10)14-7-11/h2-5,9,11,14,16H,6-8H2,1H3,(H,15,17)/t9-,11?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 107219186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).