N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

C25H26N4O3 — CID 46348996

IUPACN-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOCCN(CCNC(=O)c1cc(-c2ccccn2)nc2ccccc12)Cc1ccco1
InChIInChI=1S/C25H26N4O3/c1-31-16-14-29(18-19-7-6-15-32-19)13-12-27-25(30)21-17-24(23-10-4-5-11-26-23)28-22-9-3-2-8-20(21)22/h2-11,15,17H,12-14,16,18H2,1H3,(H,27,30)
InChIKeyCPKYYQQQUCIACP-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.77
Rot. Bonds10

About N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 46348996) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID46348996
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOCCN(CCNC(=O)c1cc(-c2ccccn2)nc2ccccc12)Cc1ccco1
InChIInChI=1S/C25H26N4O3/c1-31-16-14-29(18-19-7-6-15-32-19)13-12-27-25(30)21-17-24(23-10-4-5-11-26-23)28-22-9-3-2-8-20(21)22/h2-11,15,17H,12-14,16,18H2,1H3,(H,27,30)
InChIKeyCPKYYQQQUCIACP-UHFFFAOYSA-N
XLogP3.77
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 46349016
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 55614946
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-[2-(diethylamino)ethyl]-2-(2-methoxypyrimidin-5-yl)quinoline-4-carboxamide
CID 155555807
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide
CID 46375317
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 92892597
N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide
CID 4801871
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 46348996) is N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is COCCN(CCNC(=O)c1cc(-c2ccccn2)nc2ccccc12)Cc1ccco1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is CPKYYQQQUCIACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-31-16-14-29(18-19-7-6-15-32-19)13-12-27-25(30)21-17-24(23-10-4-5-11-26-23)28-22-9-3-2-8-20(21)22/h2-11,15,17H,12-14,16,18H2,1H3,(H,27,30).
What are the key properties of N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 46348996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).