N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide

C24H21N3O2 — CID 27756972

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H21N3O2/c1-29-23-11-5-2-7-17(23)12-14-26-24(28)20-15-22(18-8-6-13-25-16-18)27-21-10-4-3-9-19(20)21/h2-11,13,15-16H,12,14H2,1H3,(H,26,28)
InChIKeyBFBUQRDSUQRGEU-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.28
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 27756972) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID27756972
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H21N3O2/c1-29-23-11-5-2-7-17(23)12-14-26-24(28)20-15-22(18-8-6-13-25-16-18)27-21-10-4-3-9-19(20)21/h2-11,13,15-16H,12,14H2,1H3,(H,26,28)
InChIKeyBFBUQRDSUQRGEU-UHFFFAOYSA-N
XLogP4.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27847926
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798396
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46655946
N-[2-(4-methylphenoxy)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 24681313
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 17374071
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55385131
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-5-ylquinoline-4-carboxamide
CID 45099957

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 27756972) is N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide is COc1ccccc1CCNC(=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is BFBUQRDSUQRGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-29-23-11-5-2-7-17(23)12-14-26-24(28)20-15-22(18-8-6-13-25-16-18)27-21-10-4-3-9-19(20)21/h2-11,13,15-16H,12,14H2,1H3,(H,26,28).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 27756972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).