3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

C24H27N3O3 — CID 53174881

IUPAC3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCc1ccc2cc(CCC(=O)NCc3ccc(N4CCOCC4)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H27N3O3/c1-17-2-5-19-15-20(24(29)26-22(19)14-17)6-9-23(28)25-16-18-3-7-21(8-4-18)27-10-12-30-13-11-27/h2-5,7-8,14-15H,6,9-13,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyAOFLEVKBSFHWTH-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.92
Rot. Bonds6

About 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 53174881) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID53174881
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCc1ccc2cc(CCC(=O)NCc3ccc(N4CCOCC4)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C24H27N3O3/c1-17-2-5-19-15-20(24(29)26-22(19)14-17)6-9-23(28)25-16-18-3-7-21(8-4-18)27-10-12-30-13-11-27/h2-5,7-8,14-15H,6,9-13,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyAOFLEVKBSFHWTH-UHFFFAOYSA-N
XLogP2.92
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331176
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 53174855
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 110331634
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 135970389
7-methyl-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870829
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331627
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 110408526
7-methyl-3-[3-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110424937
N-(2-morpholin-4-ylethyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174593
N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174850

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (CID 53174881) is 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is Cc1ccc2cc(CCC(=O)NCc3ccc(N4CCOCC4)cc3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is AOFLEVKBSFHWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-2-5-19-15-20(24(29)26-22(19)14-17)6-9-23(28)25-16-18-3-7-21(8-4-18)27-10-12-30-13-11-27/h2-5,7-8,14-15H,6,9-13,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 405.50 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 53174881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).