N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide

C23H23N3O4 — CID 138999092

IUPACN-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)NCc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H23N3O4/c27-21-9-10-26(20-4-2-1-3-19(20)21)16-22(28)24-15-17-5-7-18(8-6-17)23(29)25-11-13-30-14-12-25/h1-10H,11-16H2,(H,24,28)
InChIKeyVAFJBXHNHYLPTE-UHFFFAOYSA-N
MW405.45 g/mol
LogP1.79
Rot. Bonds5

About N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide

N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide (PubChem CID 138999092) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
PubChem CID138999092
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)c2ccccc21)NCc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H23N3O4/c27-21-9-10-26(20-4-2-1-3-19(20)21)16-22(28)24-15-17-5-7-18(8-6-17)23(29)25-11-13-30-14-12-25/h1-10H,11-16H2,(H,24,28)
InChIKeyVAFJBXHNHYLPTE-UHFFFAOYSA-N
XLogP1.79
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 86918685
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
2-[benzyl(methyl)amino]-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]acetamide
CID 32726719
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonyl)phenyl]methyl]benzamide
CID 127243735
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 131927904
N-benzyl-2-(6-bromo-4-oxoquinolin-1-yl)acetamide
CID 100736190
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-4-oxobutanamide
CID 32862262
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17495918
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 153344851
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[4-(chloromethyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62986957

Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide (CID 138999092) is N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide is O=C(Cn1ccc(=O)c2ccccc21)NCc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide?
The InChIKey is VAFJBXHNHYLPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c27-21-9-10-26(20-4-2-1-3-19(20)21)16-22(28)24-15-17-5-7-18(8-6-17)23(29)25-11-13-30-14-12-25/h1-10H,11-16H2,(H,24,28).
What are the key properties of N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide?
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide has a molecular weight of 405.45 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 138999092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).