2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid

C22H24N4O3 — CID 57339119

IUPAC2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid
SMILESCCN1CCN(Cc2nc3ccc(C(=O)O)cc3c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C22H24N4O3/c1-2-24-10-12-25(13-11-24)15-20-23-19-9-8-16(22(28)29)14-18(19)21(27)26(20)17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H,28,29)
InChIKeyRYJQXGVJDUDUCU-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.22
Rot. Bonds5

About 2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid

2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid (PubChem CID 57339119) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid
PubChem CID57339119
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid
SMILESCCN1CCN(Cc2nc3ccc(C(=O)O)cc3c(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C22H24N4O3/c1-2-24-10-12-25(13-11-24)15-20-23-19-9-8-16(22(28)29)14-18(19)21(27)26(20)17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H,28,29)
InChIKeyRYJQXGVJDUDUCU-UHFFFAOYSA-N
XLogP2.22
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-3-phenylbenzimidazole-5-carboxylic acid
CID 80502841
2-[3-(4-ethylpiperazin-1-yl)pentan-3-yl]-4-oxo-3-phenylquinazoline-6-carbonitrile
CID 24810795
3-(2,6-dichlorophenyl)-2-[(4-ethylpiperazin-1-yl)methyl]quinazolin-4-one;3-(2,6-dichlorophenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 143270235
2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-(azepan-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one
CID 991488
1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazole-5-carboxylic acid
CID 138003594
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
2-ethyl-7-fluoro-6-[(E)-3-oxobut-1-enyl]-3-phenylquinazolin-4-one
CID 170042705
(E)-3-(2-ethyl-7-fluoro-4-oxo-3-phenylquinazolin-6-yl)prop-2-enoic acid
CID 169081632
4-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]benzoic acid
CID 12626569
3-[(4-ethylpiperazin-1-yl)methyl]-4-fluorobenzoic acid
CID 63067187
4-[(4-ethylpiperazin-1-yl)methyl]-3-fluorobenzoic acid
CID 63067186

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid?
The IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid (CID 57339119) is 2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid?
The canonical SMILES for 2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid is CCN1CCN(Cc2nc3ccc(C(=O)O)cc3c(=O)n2-c2ccccc2)CC1.
What is the InChIKey of 2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid?
The InChIKey is RYJQXGVJDUDUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-24-10-12-25(13-11-24)15-20-23-19-9-8-16(22(28)29)14-18(19)21(27)26(20)17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H,28,29).
What are the key properties of 2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid?
2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid has a molecular weight of 392.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-3-phenylquinazoline-6-carboxylic acid is sourced from PubChem (CID 57339119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).