(3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one

C25H20N2O2 — CID 22695905

IUPAC(3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one
SMILESO=c1nc2n(c3ccccc13)CC/C2=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H20N2O2/c28-25-22-8-4-5-9-23(22)27-15-14-20(24(27)26-25)16-18-10-12-21(13-11-18)29-17-19-6-2-1-3-7-19/h1-13,16H,14-15,17H2/b20-16-
InChIKeyAXMMXAPWUYOVAJ-SILNSSARSA-N
MW380.45 g/mol
LogP4.92
Rot. Bonds4

About (3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one

(3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one (PubChem CID 22695905) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name(3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one
PubChem CID22695905
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name(3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one
SMILESO=c1nc2n(c3ccccc13)CC/C2=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H20N2O2/c28-25-22-8-4-5-9-23(22)27-15-14-20(24(27)26-25)16-18-10-12-21(13-11-18)29-17-19-6-2-1-3-7-19/h1-13,16H,14-15,17H2/b20-16-
InChIKeyAXMMXAPWUYOVAJ-SILNSSARSA-N
XLogP4.92
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one
CID 16832227
(3E)-3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 24561704
(3Z)-3-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 20849991
(2Z,6E)-4-methyl-2,6-bis[(4-phenylmethoxyphenyl)methylidene]cyclohexan-1-one
CID 17386127
(3E)-3-[(4-nitrophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 6139214
(3E)-3-(naphthalen-2-ylmethylidene)-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 16555528
(5Z)-2-(4-methylpiperazin-1-yl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazol-4-one
CID 2000831
(5E)-2-methyl-5-[(4-phenylmethoxyphenyl)methylidene]-3H-pyrrol-4-one
CID 6508826
(3E)-3-[(4-butoxyphenyl)methylidene]-6-(trifluoromethyl)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 7945502
(10E)-10-[(4-hexoxyphenyl)methylidene]-4-phenyl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 6236388
(10Z)-10-[(4-hexoxyphenyl)methylidene]-4-phenyl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 92948926
9-oxo-3-[(4-phenylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 3518373

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of (3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one (CID 22695905) is (3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for (3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for (3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one is O=c1nc2n(c3ccccc13)CC/C2=C/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is AXMMXAPWUYOVAJ-SILNSSARSA-N. The full InChI is InChI=1S/C25H20N2O2/c28-25-22-8-4-5-9-23(22)27-15-14-20(24(27)26-25)16-18-10-12-21(13-11-18)29-17-19-6-2-1-3-7-19/h1-13,16H,14-15,17H2/b20-16-.
What are the key properties of (3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one?
(3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one has a molecular weight of 380.45 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 22695905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).