(E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide

C32H24N4O2 — CID 6449263

IUPAC(E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N/N=C\c1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C32H24N4O2/c37-31(22-18-25-11-5-2-6-12-25)35-33-23-26-15-19-27(20-16-26)36-30(21-17-24-9-3-1-4-10-24)34-29-14-8-7-13-28(29)32(36)38/h1-23H,(H,35,37)/b21-17+,22-18+,33-23-
InChIKeyVBGHJFQNBLEZAL-BZNGIBLFSA-N
MW496.57 g/mol
LogP5.72
Rot. Bonds7

About (E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide

(E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide (PubChem CID 6449263) has the molecular formula C32H24N4O2 and a molecular weight of 496.57 g/mol. Its IUPAC name is (E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide
PubChem CID6449263
Molecular FormulaC32H24N4O2
Molecular Weight496.57 g/mol
Exact Mass496.19
IUPAC Name(E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N/N=C\c1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C32H24N4O2/c37-31(22-18-25-11-5-2-6-12-25)35-33-23-26-15-19-27(20-16-26)36-30(21-17-24-9-3-1-4-10-24)34-29-14-8-7-13-28(29)32(36)38/h1-23H,(H,35,37)/b21-17+,22-18+,33-23-
InChIKeyVBGHJFQNBLEZAL-BZNGIBLFSA-N
XLogP5.72
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 135419107
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
2-[2-(4-methoxyphenyl)ethenyl]-3-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]quinazolin-4-one
CID 71960265
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
N-[4-[2-[2-(3,4-difluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]acetamide
CID 6616549
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
CID 7822082
N-[(E)-benzylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6878774

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide (CID 6449263) is (E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N/N=C\c1ccc(-n2c(/C=C/c3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of (E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide?
The InChIKey is VBGHJFQNBLEZAL-BZNGIBLFSA-N. The full InChI is InChI=1S/C32H24N4O2/c37-31(22-18-25-11-5-2-6-12-25)35-33-23-26-15-19-27(20-16-26)36-30(21-17-24-9-3-1-4-10-24)34-29-14-8-7-13-28(29)32(36)38/h1-23H,(H,35,37)/b21-17+,22-18+,33-23-.
What are the key properties of (E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide?
(E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide has a molecular weight of 496.57 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide is sourced from PubChem (CID 6449263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).