[(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol

C18H16ClFN2O — CID 141365941

IUPAC[(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol
SMILESOC[C@@H]1CC(c2ccc(F)cc2)C2=Nc3ccc(Cl)cc3CN21
InChIInChI=1S/C18H16ClFN2O/c19-13-3-6-17-12(7-13)9-22-15(10-23)8-16(18(22)21-17)11-1-4-14(20)5-2-11/h1-7,15-16,23H,8-10H2/t15-,16?/m0/s1
InChIKeyFQUVIQBVUKIDLN-VYRBHSGPSA-N
MW330.79 g/mol
LogP3.87
Rot. Bonds2

About [(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol

[(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol (PubChem CID 141365941) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is [(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol
PubChem CID141365941
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name[(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol
SMILESOC[C@@H]1CC(c2ccc(F)cc2)C2=Nc3ccc(Cl)cc3CN21
InChIInChI=1S/C18H16ClFN2O/c19-13-3-6-17-12(7-13)9-22-15(10-23)8-16(18(22)21-17)11-1-4-14(20)5-2-11/h1-7,15-16,23H,8-10H2/t15-,16?/m0/s1
InChIKeyFQUVIQBVUKIDLN-VYRBHSGPSA-N
XLogP3.87
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol with MolForge

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Related Compounds

2-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)ethanol
CID 54757592
[(1R)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol
CID 141365937
[(1S,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol
CID 44545365
[(1R,3Z)-7-chloro-3-[(4-fluorophenyl)methylidene]-2,9-dihydro-1H-pyrrolo[2,1-b]quinazolin-1-yl]methanol
CID 44545367
[(1S)-7-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol
CID 44545251
[(1R)-7-chloro-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol
CID 44545253

Frequently Asked Questions

What is the IUPAC name of [(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol?
The IUPAC name of [(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol (CID 141365941) is [(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol.
What is the SMILES notation for [(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol?
The canonical SMILES for [(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol is OC[C@@H]1CC(c2ccc(F)cc2)C2=Nc3ccc(Cl)cc3CN21.
What is the InChIKey of [(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol?
The InChIKey is FQUVIQBVUKIDLN-VYRBHSGPSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c19-13-3-6-17-12(7-13)9-22-15(10-23)8-16(18(22)21-17)11-1-4-14(20)5-2-11/h1-7,15-16,23H,8-10H2/t15-,16?/m0/s1.
What are the key properties of [(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol?
[(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol has a molecular weight of 330.79 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol is sourced from PubChem (CID 141365941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).