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

C19H19N3O2 — CID 3554154

IUPACN-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H19N3O2/c1-24-11-5-10-21-19(23)16-12-18(14-6-4-9-20-13-14)22-17-8-3-2-7-15(16)17/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,21,23)
InChIKeyKDHWKLINGHQAHZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.06
Rot. Bonds6

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

N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 3554154) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID3554154
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H19N3O2/c1-24-11-5-10-21-19(23)16-12-18(14-6-4-9-20-13-14)22-17-8-3-2-7-15(16)17/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,21,23)
InChIKeyKDHWKLINGHQAHZ-UHFFFAOYSA-N
XLogP3.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide (CID 3554154) is N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide is COCCCNC(=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is KDHWKLINGHQAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-11-5-10-21-19(23)16-12-18(14-6-4-9-20-13-14)22-17-8-3-2-7-15(16)17/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,21,23).
What are the key properties of N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide?
N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 3554154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).