ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate

C21H19N3O4 — CID 24569687

IUPACethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C21H19N3O4/c1-2-28-20(26)12-9-15-7-10-16(11-8-15)23-19(25)13-24-14-22-18-6-4-3-5-17(18)21(24)27/h3-12,14H,2,13H2,1H3,(H,23,25)/b12-9+
InChIKeyMCZRWMPVMGXAHS-FMIVXFBMSA-N
MW377.40 g/mol
LogP2.61
Rot. Bonds6

About ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate

ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate (PubChem CID 24569687) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate
PubChem CID24569687
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Nameethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C21H19N3O4/c1-2-28-20(26)12-9-15-7-10-16(11-8-15)23-19(25)13-24-14-22-18-6-4-3-5-17(18)21(24)27/h3-12,14H,2,13H2,1H3,(H,23,25)/b12-9+
InChIKeyMCZRWMPVMGXAHS-FMIVXFBMSA-N
XLogP2.61
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122302050
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-[4-(3-methylphenoxy)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7758722
ethyl (E)-3-[4-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]phenyl]prop-2-enoate
CID 24529986
(4-oxoquinazolin-3-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 735211
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122356084
ethyl (E)-3-[4-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]phenyl]prop-2-enoate
CID 27902250
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4785568

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate (CID 24569687) is ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate?
The InChIKey is MCZRWMPVMGXAHS-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-2-28-20(26)12-9-15-7-10-16(11-8-15)23-19(25)13-24-14-22-18-6-4-3-5-17(18)21(24)27/h3-12,14H,2,13H2,1H3,(H,23,25)/b12-9+.
What are the key properties of ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate?
ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate has a molecular weight of 377.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate is sourced from PubChem (CID 24569687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).