1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide

C15H22N2O2 — CID 111495995

IUPAC1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCCN2CCCCCO
InChIInChI=1S/C15H22N2O2/c16-15(19)13-6-4-8-14-12(13)7-5-10-17(14)9-2-1-3-11-18/h4,6,8,18H,1-3,5,7,9-11H2,(H2,16,19)
InChIKeyLZXGJOGWHAAYPE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds6

About 1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide

1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 111495995) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID111495995
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESNC(=O)c1cccc2c1CCCN2CCCCCO
InChIInChI=1S/C15H22N2O2/c16-15(19)13-6-4-8-14-12(13)7-5-10-17(14)9-2-1-3-11-18/h4,6,8,18H,1-3,5,7,9-11H2,(H2,16,19)
InChIKeyLZXGJOGWHAAYPE-UHFFFAOYSA-N
XLogP1.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 13472126
1-(2-fluoroethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 80695916
1-[2-(benzylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78866067
1-(4-hydroxybutyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336953
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78897275
1-[3-(oxolan-2-yl)propyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 65162308
1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78897376
1-(3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 86998468
1-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 167848457
1-[2-(cyclopropylmethoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxamide
CID 78884754
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 106454610
5-(7-amino-3,4-dihydro-2H-quinolin-1-yl)pentan-1-ol
CID 55055575

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide (CID 111495995) is 1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide is NC(=O)c1cccc2c1CCCN2CCCCCO.
What is the InChIKey of 1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is LZXGJOGWHAAYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-15(19)13-6-4-8-14-12(13)7-5-10-17(14)9-2-1-3-11-18/h4,6,8,18H,1-3,5,7,9-11H2,(H2,16,19).
What are the key properties of 1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 111495995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).