N-(3-methoxypropyl)quinoline-5-carboxamide

C14H16N2O2 — CID 51075711

IUPACN-(3-methoxypropyl)quinoline-5-carboxamide
SMILESCOCCCNC(=O)c1cccc2ncccc12
InChIInChI=1S/C14H16N2O2/c1-18-10-4-9-16-14(17)12-5-2-7-13-11(12)6-3-8-15-13/h2-3,5-8H,4,9-10H2,1H3,(H,16,17)
InChIKeyDCGKOAKYAWNGCK-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.00
Rot. Bonds5

About N-(3-methoxypropyl)quinoline-5-carboxamide

N-(3-methoxypropyl)quinoline-5-carboxamide (PubChem CID 51075711) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)quinoline-5-carboxamide
PubChem CID51075711
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(3-methoxypropyl)quinoline-5-carboxamide
SMILESCOCCCNC(=O)c1cccc2ncccc12
InChIInChI=1S/C14H16N2O2/c1-18-10-4-9-16-14(17)12-5-2-7-13-11(12)6-3-8-15-13/h2-3,5-8H,4,9-10H2,1H3,(H,16,17)
InChIKeyDCGKOAKYAWNGCK-UHFFFAOYSA-N
XLogP2.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethoxy)propyl]quinoline-5-carboxamide
CID 106307791
N-(4-hydroxypentyl)quinoline-5-carboxamide
CID 107300441
N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
CID 26035305
N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide
CID 106307902
2-(2-methoxyethoxy)-1-quinolin-5-ylethanone
CID 114032521
2-fluoro-N-(4-methoxybutyl)pyridine-3-carboxamide
CID 107358712
N-(2-azidoethyl)quinoline-5-carboxamide
CID 55126604
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
N-(2,2-diethoxyethyl)quinoline-5-carboxamide
CID 79538723
N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
CID 106244397
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)quinoline-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)quinoline-5-carboxamide (CID 51075711) is N-(3-methoxypropyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)quinoline-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)quinoline-5-carboxamide is COCCCNC(=O)c1cccc2ncccc12.
What is the InChIKey of N-(3-methoxypropyl)quinoline-5-carboxamide?
The InChIKey is DCGKOAKYAWNGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-10-4-9-16-14(17)12-5-2-7-13-11(12)6-3-8-15-13/h2-3,5-8H,4,9-10H2,1H3,(H,16,17).
What are the key properties of N-(3-methoxypropyl)quinoline-5-carboxamide?
N-(3-methoxypropyl)quinoline-5-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)quinoline-5-carboxamide is sourced from PubChem (CID 51075711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).