N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide

C22H18N4O3 — CID 20785789

IUPACN-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C22H18N4O3/c23-17-6-2-4-8-19(17)24-20(27)15-11-9-14(10-12-15)13-26-21(28)16-5-1-3-7-18(16)25-22(26)29/h1-12H,13,23H2,(H,24,27)(H,25,29)
InChIKeyFOVMHXCGSPMFTG-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.57
Rot. Bonds4

About N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide

N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide (PubChem CID 20785789) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
PubChem CID20785789
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C22H18N4O3/c23-17-6-2-4-8-19(17)24-20(27)15-11-9-14(10-12-15)13-26-21(28)16-5-1-3-7-18(16)25-22(26)29/h1-12H,13,23H2,(H,24,27)(H,25,29)
InChIKeyFOVMHXCGSPMFTG-UHFFFAOYSA-N
XLogP2.57
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide
CID 70324748
N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
CID 11675218
N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
CID 11545444
N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide
CID 11683515
N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 22588176
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4550261
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione
CID 167990896
N-(2-aminophenyl)-4-[[(4Z,6Z)-5-methyl-2-oxo-8,9-dihydro-1H-cycloocta[d]imidazol-3-yl]methyl]benzamide;ethane
CID 143247659
N-(2-aminophenyl)-4-[(6-chloro-2-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 10159021
N-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(fluoromethyl)benzamide
CID 167882426

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide (CID 20785789) is N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide?
The InChIKey is FOVMHXCGSPMFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c23-17-6-2-4-8-19(17)24-20(27)15-11-9-14(10-12-15)13-26-21(28)16-5-1-3-7-18(16)25-22(26)29/h1-12H,13,23H2,(H,24,27)(H,25,29).
What are the key properties of N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide?
N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide has a molecular weight of 386.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide is sourced from PubChem (CID 20785789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).