N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C17H26N2O2 — CID 106116805

IUPACN-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCCCC(CCO)CNC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H26N2O2/c1-2-4-13(8-10-20)12-19-17(21)15-6-7-16-14(11-15)5-3-9-18-16/h6-7,11,13,18,20H,2-5,8-10,12H2,1H3,(H,19,21)
InChIKeyUMRPERFILCQRFW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.57
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 106116805) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID106116805
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCCCC(CCO)CNC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H26N2O2/c1-2-4-13(8-10-20)12-19-17(21)15-6-7-16-14(11-15)5-3-9-18-16/h6-7,11,13,18,20H,2-5,8-10,12H2,1H3,(H,19,21)
InChIKeyUMRPERFILCQRFW-UHFFFAOYSA-N
XLogP2.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103722801
N-[2-(2-hydroxyethyl)pentyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 104873176
N-(3-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118425
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63297309
4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 61244599
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 93083207
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
2-[[1-oxo-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]amino]pentanoic acid
CID 82257819
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 106116805) is N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is CCCC(CCO)CNC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is UMRPERFILCQRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-4-13(8-10-20)12-19-17(21)15-6-7-16-14(11-15)5-3-9-18-16/h6-7,11,13,18,20H,2-5,8-10,12H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 106116805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).