[(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol

C19H16ClFN2O — CID 44545367

IUPAC[(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol
SMILESOC[C@H]1C/C(=C/c2ccc(F)cc2)C2=Nc3ccc(Cl)cc3CN21
InChIInChI=1S/C19H16ClFN2O/c20-15-3-6-18-14(8-15)10-23-17(11-24)9-13(19(23)22-18)7-12-1-4-16(21)5-2-12/h1-8,17,24H,9-11H2/b13-7-/t17-/m1/s1
InChIKeyHGBVQNFXUMSROG-KYTCBBFDSA-N
MW342.80 g/mol
LogP4.17
Rot. Bonds2

About [(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol

[(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol (PubChem CID 44545367) has the molecular formula C19H16ClFN2O and a molecular weight of 342.80 g/mol. Its IUPAC name is [(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol.

Molecular Properties

Compound Name[(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol
PubChem CID44545367
Molecular FormulaC19H16ClFN2O
Molecular Weight342.80 g/mol
Exact Mass342.09
IUPAC Name[(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol
SMILESOC[C@H]1C/C(=C/c2ccc(F)cc2)C2=Nc3ccc(Cl)cc3CN21
InChIInChI=1S/C19H16ClFN2O/c20-15-3-6-18-14(8-15)10-23-17(11-24)9-13(19(23)22-18)7-12-1-4-16(21)5-2-12/h1-8,17,24H,9-11H2/b13-7-/t17-/m1/s1
InChIKeyHGBVQNFXUMSROG-KYTCBBFDSA-N
XLogP4.17
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol?
The IUPAC name of [(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol (CID 44545367) is [(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol.
What is the SMILES notation for [(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol?
The canonical SMILES for [(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol is OC[C@H]1C/C(=C/c2ccc(F)cc2)C2=Nc3ccc(Cl)cc3CN21.
What is the InChIKey of [(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol?
The InChIKey is HGBVQNFXUMSROG-KYTCBBFDSA-N. The full InChI is InChI=1S/C19H16ClFN2O/c20-15-3-6-18-14(8-15)10-23-17(11-24)9-13(19(23)22-18)7-12-1-4-16(21)5-2-12/h1-8,17,24H,9-11H2/b13-7-/t17-/m1/s1.
What are the key properties of [(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol?
[(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol has a molecular weight of 342.80 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol is sourced from PubChem (CID 44545367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).