3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

C12H10N2O2 — CID 604015

IUPAC3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2ccccc2nc2n1CCC2=CO
InChIInChI=1S/C12H10N2O2/c15-7-8-5-6-14-11(8)13-10-4-2-1-3-9(10)12(14)16/h1-4,7,15H,5-6H2
InChIKeyQXGGPRJBNMMEQJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.70
Rot. Bonds

About 3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (PubChem CID 604015) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
PubChem CID604015
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESO=c1c2ccccc2nc2n1CCC2=CO
InChIInChI=1S/C12H10N2O2/c15-7-8-5-6-14-11(8)13-10-4-2-1-3-9(10)12(14)16/h1-4,7,15H,5-6H2
InChIKeyQXGGPRJBNMMEQJ-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[(4-nitrophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 6139214
(3E)-3-[[4-(4-chlorophenyl)piperazin-1-yl]methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 1403548
(3Z)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 7076654
8,9-dihydro-7H-pyrido[2,1-b]quinazoline-6,11-dione
CID 11275922
9-oxo-3-[(4-phenylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 3518373
7-amino-3-benzylidene-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 54009576
(3E)-3-(naphthalen-2-ylmethylidene)-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 16555528
2-bromo-5,6-dihydroisoquinolino[1,2-b]quinazolin-8-one
CID 51360864
(3E)-7-chloro-3-[(2-fluorophenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 18077590
(3Z)-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;hydrate;hydrochloride
CID 6603135
6-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
CID 136734737
(3E)-3-[(4-fluorophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylic acid
CID 6184592

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (CID 604015) is 3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is O=c1c2ccccc2nc2n1CCC2=CO.
What is the InChIKey of 3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is QXGGPRJBNMMEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-7-8-5-6-14-11(8)13-10-4-2-1-3-9(10)12(14)16/h1-4,7,15H,5-6H2.
What are the key properties of 3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 214.22 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethylidene)-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 604015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).