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

C20H21N3O2 — CID 166200011

IUPACN-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOC(C)CN(C)C(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C20H21N3O2/c1-14(25-3)13-23(2)20(24)17-12-19(15-8-10-21-11-9-15)22-18-7-5-4-6-16(17)18/h4-12,14H,13H2,1-3H3
InChIKeyAZTGBHMDBYMTIF-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.40
Rot. Bonds5

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

N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 166200011) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID166200011
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOC(C)CN(C)C(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C20H21N3O2/c1-14(25-3)13-23(2)20(24)17-12-19(15-8-10-21-11-9-15)22-18-7-5-4-6-16(17)18/h4-12,14H,13H2,1-3H3
InChIKeyAZTGBHMDBYMTIF-UHFFFAOYSA-N
XLogP3.40
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[methyl-(2-pyridin-4-ylquinoline-4-carbonyl)amino]butanoate
CID 39491212
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 30278783
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4302865
[1-(benzylamino)-1-oxopropan-2-yl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 55352331
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 27827840
N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 51268285
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
CID 144714320
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 24981774
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 8834218

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 166200011) is N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide is COC(C)CN(C)C(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is AZTGBHMDBYMTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(25-3)13-23(2)20(24)17-12-19(15-8-10-21-11-9-15)22-18-7-5-4-6-16(17)18/h4-12,14H,13H2,1-3H3.
What are the key properties of N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 166200011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).