N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide

C20H19N3O3 — CID 32944118

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C20H19N3O3/c1-23(2)18(24)13-26-16-10-8-15(9-11-16)22-20(25)17-7-3-5-14-6-4-12-21-19(14)17/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeySIWMLBLXMCEHGX-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.95
Rot. Bonds5

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide (PubChem CID 32944118) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
PubChem CID32944118
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C20H19N3O3/c1-23(2)18(24)13-26-16-10-8-15(9-11-16)22-20(25)17-7-3-5-14-6-4-12-21-19(14)17/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeySIWMLBLXMCEHGX-UHFFFAOYSA-N
XLogP2.95
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]benzamide
CID 75385769
2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-methoxyphenyl)benzamide
CID 34815754
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide
CID 154747549
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(3,4-dimethylbenzoyl)benzamide
CID 33259015
6-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide
CID 55872469
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
2-(dimethylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 38886044
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
N-[4-(2-amino-2-oxoethoxy)phenyl]benzo[f]quinoline-5-carboxamide
CID 71894350

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide (CID 32944118) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide is CN(C)C(=O)COc1ccc(NC(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide?
The InChIKey is SIWMLBLXMCEHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-23(2)18(24)13-26-16-10-8-15(9-11-16)22-20(25)17-7-3-5-14-6-4-12-21-19(14)17/h3-12H,13H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 32944118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).