N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide

C26H26N4O2 — CID 139197064

IUPACN-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1ccc2ccccc2n1)c1ccc2ccccc2n1
InChIInChI=1S/C26H26N4O2/c31-25(23-15-13-19-9-3-5-11-21(19)29-23)27-17-7-1-2-8-18-28-26(32)24-16-14-20-10-4-6-12-22(20)30-24/h3-6,9-16H,1-2,7-8,17-18H2,(H,27,31)(H,28,32)
InChIKeyXMUWRRWJFFWFGP-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.50
Rot. Bonds9

About N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide

N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide (PubChem CID 139197064) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
PubChem CID139197064
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1ccc2ccccc2n1)c1ccc2ccccc2n1
InChIInChI=1S/C26H26N4O2/c31-25(23-15-13-19-9-3-5-11-21(19)29-23)27-17-7-1-2-8-18-28-26(32)24-16-14-20-10-4-6-12-22(20)30-24/h3-6,9-16H,1-2,7-8,17-18H2,(H,27,31)(H,28,32)
InChIKeyXMUWRRWJFFWFGP-UHFFFAOYSA-N
XLogP4.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[5-[5-(quinoline-2-carbonylamino)pentyldisulfanyl]pentyl]quinoline-2-carboxamide
CID 56642778
N-(3-pyrrolidin-1-ylpropyl)quinoline-2-carboxamide
CID 51110395
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699
N-[3-(4-methylpiperazin-1-yl)propyl]quinoline-2-carboxamide
CID 51073449
N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide
CID 41448498
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide
CID 114297702
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]quinoline-2-carboxamide
CID 37094959
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide
CID 90556263
2-hydroxy-2-methyl-3-(quinoline-2-carbonylamino)propanoic acid
CID 66173370
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012

Frequently Asked Questions

What is the IUPAC name of N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide?
The IUPAC name of N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide (CID 139197064) is N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide?
The canonical SMILES for N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide is O=C(NCCCCCCNC(=O)c1ccc2ccccc2n1)c1ccc2ccccc2n1.
What is the InChIKey of N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide?
The InChIKey is XMUWRRWJFFWFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-25(23-15-13-19-9-3-5-11-21(19)29-23)27-17-7-1-2-8-18-28-26(32)24-16-14-20-10-4-6-12-22(20)30-24/h3-6,9-16H,1-2,7-8,17-18H2,(H,27,31)(H,28,32).
What are the key properties of N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide?
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide is sourced from PubChem (CID 139197064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).