N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide

C23H20N4O2 — CID 11603405

IUPACN-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
SMILESO=C(NCCCNC(=O)c1ccc2ccccc2n1)c1ccc2ccccc2n1
InChIInChI=1S/C23H20N4O2/c28-22(20-12-10-16-6-1-3-8-18(16)26-20)24-14-5-15-25-23(29)21-13-11-17-7-2-4-9-19(17)27-21/h1-4,6-13H,5,14-15H2,(H,24,28)(H,25,29)
InChIKeyMIJFRZMZUSILAM-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.33
Rot. Bonds6

About N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide

N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide (PubChem CID 11603405) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
PubChem CID11603405
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
SMILESO=C(NCCCNC(=O)c1ccc2ccccc2n1)c1ccc2ccccc2n1
InChIInChI=1S/C23H20N4O2/c28-22(20-12-10-16-6-1-3-8-18(16)26-20)24-14-5-15-25-23(29)21-13-11-17-7-2-4-9-19(17)27-21/h1-4,6-13H,5,14-15H2,(H,24,28)(H,25,29)
InChIKeyMIJFRZMZUSILAM-UHFFFAOYSA-N
XLogP3.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.33
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-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
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-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115620186

Frequently Asked Questions

What is the IUPAC name of N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide?
The IUPAC name of N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide (CID 11603405) is N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide is O=C(NCCCNC(=O)c1ccc2ccccc2n1)c1ccc2ccccc2n1.
What is the InChIKey of N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide?
The InChIKey is MIJFRZMZUSILAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-22(20-12-10-16-6-1-3-8-18(16)26-20)24-14-5-15-25-23(29)21-13-11-17-7-2-4-9-19(17)27-21/h1-4,6-13H,5,14-15H2,(H,24,28)(H,25,29).
What are the key properties of N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide?
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide is sourced from PubChem (CID 11603405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).