(E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide

C23H17N3O2 — CID 178076745

IUPAC(E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Oc1ncnc2ccccc12)Nc1ccccc1
InChIInChI=1S/C23H17N3O2/c27-22(26-18-9-2-1-3-10-18)15-14-17-8-4-7-13-21(17)28-23-19-11-5-6-12-20(19)24-16-25-23/h1-16H,(H,26,27)/b15-14+
InChIKeyDBSOYAAUGYPSDZ-CCEZHUSRSA-N
MW367.41 g/mol
LogP5.07
Rot. Bonds5

About (E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide

(E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide (PubChem CID 178076745) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is (E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide
PubChem CID178076745
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name(E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Oc1ncnc2ccccc12)Nc1ccccc1
InChIInChI=1S/C23H17N3O2/c27-22(26-18-9-2-1-3-10-18)15-14-17-8-4-7-13-21(17)28-23-19-11-5-6-12-20(19)24-16-25-23/h1-16H,(H,26,27)/b15-14+
InChIKeyDBSOYAAUGYPSDZ-CCEZHUSRSA-N
XLogP5.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-nitrophenyl)-5-(2-quinazolin-4-yloxyphenyl)penta-1,4-dien-3-one
CID 141329882
(Z)-N-[4-(methylcarbamoylamino)phenyl]-3-quinolin-4-ylprop-2-enamide
CID 97359293
4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 45426859
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
ethyl N-(3-quinazolin-4-yloxyphenyl)carbamate
CID 31538412
(E)-N-phenyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 8713738
4-(2-chlorophenoxy)quinazoline
CID 31538122
(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341691
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
4-quinazolin-4-yloxybenzoic acid
CID 61395638
3-(2-methoxyphenyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 4684839
3-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid
CID 10568068

Frequently Asked Questions

What is the IUPAC name of (E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide (CID 178076745) is (E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide is O=C(/C=C/c1ccccc1Oc1ncnc2ccccc12)Nc1ccccc1.
What is the InChIKey of (E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide?
The InChIKey is DBSOYAAUGYPSDZ-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-22(26-18-9-2-1-3-10-18)15-14-17-8-4-7-13-21(17)28-23-19-11-5-6-12-20(19)24-16-25-23/h1-16H,(H,26,27)/b15-14+.
What are the key properties of (E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide?
(E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide has a molecular weight of 367.41 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenyl-3-(2-quinazolin-4-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 178076745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).