N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide

C22H25N3O2 — CID 27682804

IUPACN-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCOCCCNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H25N3O2/c1-2-3-13-27-14-7-12-24-22(26)19-15-21(17-8-6-11-23-16-17)25-20-10-5-4-9-18(19)20/h4-6,8-11,15-16H,2-3,7,12-14H2,1H3,(H,24,26)
InChIKeyPHUUABOEIAUJJR-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.23
Rot. Bonds9

About N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide

N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 27682804) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID27682804
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCOCCCNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C22H25N3O2/c1-2-3-13-27-14-7-12-24-22(26)19-15-21(17-8-6-11-23-16-17)25-20-10-5-4-9-18(19)20/h4-6,8-11,15-16H,2-3,7,12-14H2,1H3,(H,24,26)
InChIKeyPHUUABOEIAUJJR-UHFFFAOYSA-N
XLogP4.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
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-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 31850217
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27847926
2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847
6-(butylsulfamoyl)-N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 4642300
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27756972
N-[3-(cyclopropylmethoxy)propyl]-2-phenylquinoline-4-carboxamide
CID 31850076
2-(3-butoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 56692982

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 27682804) is N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide is CCCCOCCCNC(=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is PHUUABOEIAUJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-2-3-13-27-14-7-12-24-22(26)19-15-21(17-8-6-11-23-16-17)25-20-10-5-4-9-18(19)20/h4-6,8-11,15-16H,2-3,7,12-14H2,1H3,(H,24,26).
What are the key properties of N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 27682804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).