1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one

C22H24N2O2 — CID 159208379

IUPAC1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one
SMILESCOCCNCc1cc(-c2ccc(CC(C)=O)cc2)nc2ccccc12
InChIInChI=1S/C22H24N2O2/c1-16(25)13-17-7-9-18(10-8-17)22-14-19(15-23-11-12-26-2)20-5-3-4-6-21(20)24-22/h3-10,14,23H,11-13,15H2,1-2H3
InChIKeyKQEDKWAMXKDTLD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.77
Rot. Bonds8

About 1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one

1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one (PubChem CID 159208379) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one
PubChem CID159208379
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one
SMILESCOCCNCc1cc(-c2ccc(CC(C)=O)cc2)nc2ccccc12
InChIInChI=1S/C22H24N2O2/c1-16(25)13-17-7-9-18(10-8-17)22-14-19(15-23-11-12-26-2)20-5-3-4-6-21(20)24-22/h3-10,14,23H,11-13,15H2,1-2H3
InChIKeyKQEDKWAMXKDTLD-UHFFFAOYSA-N
XLogP3.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-quinolin-2-ylphenyl)propan-2-one
CID 82540961
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 24542876
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445389
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
N'-[2-(4-fluorophenyl)acetyl]-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 26657004
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one (CID 159208379) is 1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one is COCCNCc1cc(-c2ccc(CC(C)=O)cc2)nc2ccccc12.
What is the InChIKey of 1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one?
The InChIKey is KQEDKWAMXKDTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16(25)13-17-7-9-18(10-8-17)22-14-19(15-23-11-12-26-2)20-5-3-4-6-21(20)24-22/h3-10,14,23H,11-13,15H2,1-2H3.
What are the key properties of 1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one?
1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2-methoxyethylamino)methyl]quinolin-2-yl]phenyl]propan-2-one is sourced from PubChem (CID 159208379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).