N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide

C16H20N2O — CID 106901728

IUPACN-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESC#CCC(CC)NC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H20N2O/c1-3-7-14(4-2)18-16(19)13-10-12-8-5-6-9-15(12)17-11-13/h1,5-6,8-9,13-14,17H,4,7,10-11H2,2H3,(H,18,19)
InChIKeyVMEHSUHBACNLKG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.19
Rot. Bonds4

About N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901728) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901728
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESC#CCC(CC)NC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C16H20N2O/c1-3-7-14(4-2)18-16(19)13-10-12-8-5-6-9-15(12)17-11-13/h1,5-6,8-9,13-14,17H,4,7,10-11H2,2H3,(H,18,19)
InChIKeyVMEHSUHBACNLKG-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-yn-3-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703725
N-hex-5-yn-3-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113477452
2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid
CID 106901670
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186
N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106160965
N-(3-hydroxypentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901745
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901236
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106894254
N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901779
(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864201
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901259

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901728) is N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide is C#CCC(CC)NC(=O)C1CNc2ccccc2C1.
What is the InChIKey of N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is VMEHSUHBACNLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-7-14(4-2)18-16(19)13-10-12-8-5-6-9-15(12)17-11-13/h1,5-6,8-9,13-14,17H,4,7,10-11H2,2H3,(H,18,19).
What are the key properties of N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).