N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide

C25H23N3O5 — CID 151887635

IUPACN-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide
SMILESCOc1ccc2c(=O)n(CCc3ccccc3)c(=O)n(Cc3ccc(C(=O)NO)cc3)c2c1
InChIInChI=1S/C25H23N3O5/c1-33-20-11-12-21-22(15-20)28(16-18-7-9-19(10-8-18)23(29)26-32)25(31)27(24(21)30)14-13-17-5-3-2-4-6-17/h2-12,15,32H,13-14,16H2,1H3,(H,26,29)
InChIKeySQBBNABXOTUYRL-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.58
Rot. Bonds7

About N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide

N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide (PubChem CID 151887635) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide
PubChem CID151887635
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC NameN-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide
SMILESCOc1ccc2c(=O)n(CCc3ccccc3)c(=O)n(Cc3ccc(C(=O)NO)cc3)c2c1
InChIInChI=1S/C25H23N3O5/c1-33-20-11-12-21-22(15-20)28(16-18-7-9-19(10-8-18)23(29)26-32)25(31)27(24(21)30)14-13-17-5-3-2-4-6-17/h2-12,15,32H,13-14,16H2,1H3,(H,26,29)
InChIKeySQBBNABXOTUYRL-UHFFFAOYSA-N
XLogP2.58
TPSA102.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
3-[(4-methoxyphenyl)methyl]-2,4-dioxo-N-(3-pyrrolidin-1-ylpropyl)-1H-quinazoline-7-carboxamide
CID 3238409
4-butoxy-N-(2-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-2H-quinazolin-3-yl)-benzamide
CID 11751175
7-Methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-quinazoline-2,4-dione
CID 10812130
4-(1-benzyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 15989301
3-Benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2887831
3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-diethoxyquinazoline-2,4(1H,3H)-dione
CID 3240040
2-(4-Methoxyphenyl)-3-(4-phenoxyphenyl)-1,2,3-trihydroquinazolin-4-one
CID 4363326
3-[(4-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione
CID 15988128
2-[6,7-Dimethoxy-2,4-dioxo-3-(2-phenylethyl)-1,2,3,4-tetrahydroquinazolin-1-YL]-N-phenylacetamide
CID 15989492
4-[[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 15989634
N-(1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 3135989

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide (CID 151887635) is N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide is COc1ccc2c(=O)n(CCc3ccccc3)c(=O)n(Cc3ccc(C(=O)NO)cc3)c2c1.
What is the InChIKey of N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide?
The InChIKey is SQBBNABXOTUYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-33-20-11-12-21-22(15-20)28(16-18-7-9-19(10-8-18)23(29)26-32)25(31)27(24(21)30)14-13-17-5-3-2-4-6-17/h2-12,15,32H,13-14,16H2,1H3,(H,26,29).
What are the key properties of N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide?
N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide has a molecular weight of 445.48 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[7-methoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]benzamide is sourced from PubChem (CID 151887635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).