N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide

C20H28N2O2 — CID 55664290

IUPACN-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C20H28N2O2/c1-6-16(7-2)22(10-11-24-5)20(23)18-13-15(4)21-19-9-8-14(3)12-17(18)19/h8-9,12-13,16H,6-7,10-11H2,1-5H3
InChIKeyAPAXTXSUAVWNSH-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.13
Rot. Bonds7

About N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide

N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide (PubChem CID 55664290) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide
PubChem CID55664290
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(C)nc2ccc(C)cc12
InChIInChI=1S/C20H28N2O2/c1-6-16(7-2)22(10-11-24-5)20(23)18-13-15(4)21-19-9-8-14(3)12-17(18)19/h8-9,12-13,16H,6-7,10-11H2,1-5H3
InChIKeyAPAXTXSUAVWNSH-UHFFFAOYSA-N
XLogP4.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide
CID 55370471
N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
N-(2-methoxyethyl)-N,2,7-trimethylquinoline-4-carboxamide
CID 46984652
N-(1-methoxypropan-2-yl)-2,6-dimethylquinoline-4-carboxamide
CID 18160978
N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005859
N-(2,5-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55591955
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
N-(2,4-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55592541
2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 86982098
2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026543

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide (CID 55664290) is N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide is CCC(CC)N(CCOC)C(=O)c1cc(C)nc2ccc(C)cc12.
What is the InChIKey of N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide?
The InChIKey is APAXTXSUAVWNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-6-16(7-2)22(10-11-24-5)20(23)18-13-15(4)21-19-9-8-14(3)12-17(18)19/h8-9,12-13,16H,6-7,10-11H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide?
N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,6-dimethyl-N-pentan-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 55664290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).