1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid

C21H19N3O5 — CID 174532634

IUPAC1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C(=O)Nc2ccccc2N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C21H19N3O5/c25-19-14-5-1-3-7-17(14)24(13-15(19)20(26)27)21(28)22-16-6-2-4-8-18(16)23-9-11-29-12-10-23/h1-8,13H,9-12H2,(H,22,28)(H,26,27)
InChIKeyBCVHLKDEUHCSJT-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.62
Rot. Bonds3

About 1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid

1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 174532634) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID174532634
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C(=O)Nc2ccccc2N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C21H19N3O5/c25-19-14-5-1-3-7-17(14)24(13-15(19)20(26)27)21(28)22-16-6-2-4-8-18(16)23-9-11-29-12-10-23/h1-8,13H,9-12H2,(H,22,28)(H,26,27)
InChIKeyBCVHLKDEUHCSJT-UHFFFAOYSA-N
XLogP2.62
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-ethylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532573
1-[[2-(4-methylphenyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174692298
4-oxo-1-[[2-(2-phenoxyphenyl)phenyl]carbamoyl]quinoline-3-carboxylic acid
CID 174532619
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
1-[[4-(benzenesulfonyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532542
1-[(2,5-diethoxyphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174519555
1-[[3-amino-5-(trifluoromethyl)phenyl]carbamoyl]-4-oxoquinoline-3-carboxylic acid
CID 174532607
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 1120987
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583

Frequently Asked Questions

What is the IUPAC name of 1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid (CID 174532634) is 1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C(=O)Nc2ccccc2N2CCOCC2)c2ccccc2c1=O.
What is the InChIKey of 1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is BCVHLKDEUHCSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c25-19-14-5-1-3-7-17(14)24(13-15(19)20(26)27)21(28)22-16-6-2-4-8-18(16)23-9-11-29-12-10-23/h1-8,13H,9-12H2,(H,22,28)(H,26,27).
What are the key properties of 1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid?
1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 393.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-ylphenyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 174532634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).