(3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

C19H14Cl2N2O — CID 92945277

IUPAC(3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESCc1cccc(/C=C2/CCn3c2nc2c(Cl)cc(Cl)cc2c3=O)c1
InChIInChI=1S/C19H14Cl2N2O/c1-11-3-2-4-12(7-11)8-13-5-6-23-18(13)22-17-15(19(23)24)9-14(20)10-16(17)21/h2-4,7-10H,5-6H2,1H3/b13-8-
InChIKeyBPROXMPPLKLYJH-JYRVWZFOSA-N
MW357.24 g/mol
LogP4.96
Rot. Bonds1

About (3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one

(3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (PubChem CID 92945277) has the molecular formula C19H14Cl2N2O and a molecular weight of 357.24 g/mol. Its IUPAC name is (3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name(3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
PubChem CID92945277
Molecular FormulaC19H14Cl2N2O
Molecular Weight357.24 g/mol
Exact Mass356.05
IUPAC Name(3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
SMILESCc1cccc(/C=C2/CCn3c2nc2c(Cl)cc(Cl)cc2c3=O)c1
InChIInChI=1S/C19H14Cl2N2O/c1-11-3-2-4-12(7-11)8-13-5-6-23-18(13)22-17-15(19(23)24)9-14(20)10-16(17)21/h2-4,7-10H,5-6H2,1H3/b13-8-
InChIKeyBPROXMPPLKLYJH-JYRVWZFOSA-N
XLogP4.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of (3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one (CID 92945277) is (3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for (3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for (3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is Cc1cccc(/C=C2/CCn3c2nc2c(Cl)cc(Cl)cc2c3=O)c1.
What is the InChIKey of (3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is BPROXMPPLKLYJH-JYRVWZFOSA-N. The full InChI is InChI=1S/C19H14Cl2N2O/c1-11-3-2-4-12(7-11)8-13-5-6-23-18(13)22-17-15(19(23)24)9-14(20)10-16(17)21/h2-4,7-10H,5-6H2,1H3/b13-8-.
What are the key properties of (3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one?
(3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 357.24 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5,7-dichloro-3-[(3-methylphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 92945277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).