N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide

C28H26N4O5 — CID 50762553

IUPACN-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C28H26N4O5/c1-37-22-6-4-5-20(16-22)30-26(34)17-31-24-8-3-2-7-23(24)27(35)32(28(31)36)21-13-9-18(10-14-21)15-25(33)29-19-11-12-19/h2-10,13-14,16,19H,11-12,15,17H2,1H3,(H,29,33)(H,30,34)
InChIKeyYEPOBIBNIXEVIU-UHFFFAOYSA-N
MW498.54 g/mol
LogP2.62
Rot. Bonds8

About N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide

N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide (PubChem CID 50762553) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
PubChem CID50762553
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC NameN-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C28H26N4O5/c1-37-22-6-4-5-20(16-22)30-26(34)17-31-24-8-3-2-7-23(24)27(35)32(28(31)36)21-13-9-18(10-14-21)15-25(33)29-19-11-12-19/h2-10,13-14,16,19H,11-12,15,17H2,1H3,(H,29,33)(H,30,34)
InChIKeyYEPOBIBNIXEVIU-UHFFFAOYSA-N
XLogP2.62
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
CID 50762495
N-cyclopentyl-5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 50763044
2-[4-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 27422032
N-cyclopropyl-2-[3-(3-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
CID 71956343
N-(3-methoxyphenyl)-2-[3-(2-methylpropyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030708
2-[4-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methoxyethyl)acetamide
CID 50762552
2-[3-(4-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17027583
N-cyclopropyl-2-[4-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762632
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide
CID 50762715
2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
CID 50762674
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
CID 50763110
5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762808

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide (CID 50762553) is N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide is COc1cccc(NC(=O)Cn2c(=O)n(-c3ccc(CC(=O)NC4CC4)cc3)c(=O)c3ccccc32)c1.
What is the InChIKey of N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
The InChIKey is YEPOBIBNIXEVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5/c1-37-22-6-4-5-20(16-22)30-26(34)17-31-24-8-3-2-7-23(24)27(35)32(28(31)36)21-13-9-18(10-14-21)15-25(33)29-19-11-12-19/h2-10,13-14,16,19H,11-12,15,17H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide?
N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide has a molecular weight of 498.54 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide is sourced from PubChem (CID 50762553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).