N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide

C24H22N4O3 — CID 135893399

IUPACN-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NCc3nc4ccccc4c(=O)[nH]3)cc2)cc1
InChIInChI=1S/C24H22N4O3/c1-2-31-19-13-11-18(12-14-19)26-23(29)16-7-9-17(10-8-16)25-15-22-27-21-6-4-3-5-20(21)24(30)28-22/h3-14,25H,2,15H2,1H3,(H,26,29)(H,27,28,30)
InChIKeyKZSOMDUIVDRFJN-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.19
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide

N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide (PubChem CID 135893399) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
PubChem CID135893399
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NCc3nc4ccccc4c(=O)[nH]3)cc2)cc1
InChIInChI=1S/C24H22N4O3/c1-2-31-19-13-11-18(12-14-19)26-23(29)16-7-9-17(10-8-16)25-15-22-27-21-6-4-3-5-20(21)24(30)28-22/h3-14,25H,2,15H2,1H3,(H,26,29)(H,27,28,30)
InChIKeyKZSOMDUIVDRFJN-UHFFFAOYSA-N
XLogP4.19
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 135808249
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831944
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
3-[4-[(4-ethoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20994472
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 167947829
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
N-(4-ethoxyphenyl)quinoxaline-2-carboxamide
CID 2738538
N-(4-ethoxyphenyl)-4-[[2-(1H-indol-3-yl)acetyl]amino]benzamide
CID 7998970

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide (CID 135893399) is N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide is CCOc1ccc(NC(=O)c2ccc(NCc3nc4ccccc4c(=O)[nH]3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide?
The InChIKey is KZSOMDUIVDRFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-2-31-19-13-11-18(12-14-19)26-23(29)16-7-9-17(10-8-16)25-15-22-27-21-6-4-3-5-20(21)24(30)28-22/h3-14,25H,2,15H2,1H3,(H,26,29)(H,27,28,30).
What are the key properties of N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide?
N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide has a molecular weight of 414.47 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide is sourced from PubChem (CID 135893399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).