2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

C24H27N3O3 — CID 2965752

IUPAC2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C24H27N3O3/c1-29-23-10-5-3-8-19(23)22-17-20(18-7-2-4-9-21(18)26-22)24(28)25-11-6-12-27-13-15-30-16-14-27/h2-5,7-10,17H,6,11-16H2,1H3,(H,25,28)
InChIKeyBAXIRSFEGXBIIC-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.36
Rot. Bonds7

About 2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide

2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (PubChem CID 2965752) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
PubChem CID2965752
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCN2CCOCC2)c2ccccc2n1
InChIInChI=1S/C24H27N3O3/c1-29-23-10-5-3-8-19(23)22-17-20(18-7-2-4-9-21(18)26-22)24(28)25-11-6-12-27-13-15-30-16-14-27/h2-5,7-10,17H,6,11-16H2,1H3,(H,25,28)
InChIKeyBAXIRSFEGXBIIC-UHFFFAOYSA-N
XLogP3.36
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromothiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 22422673
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 24793582
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
2-(3-methoxyphenyl)-N-[3-[4-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
CID 4139661
6-(2-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
CID 162660020
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4110000
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 4184624
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 1354107
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 3442010

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide (CID 2965752) is 2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is COc1ccccc1-c1cc(C(=O)NCCCN2CCOCC2)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
The InChIKey is BAXIRSFEGXBIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-29-23-10-5-3-8-19(23)22-17-20(18-7-2-4-9-21(18)26-22)24(28)25-11-6-12-27-13-15-30-16-14-27/h2-5,7-10,17H,6,11-16H2,1H3,(H,25,28).
What are the key properties of 2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide?
2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 2965752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).