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

C18H16ClFN2O — CID 141365937

IUPAC[(1R)-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?/m1/s1
InChIKeyFQUVIQBVUKIDLN-AAFJCEBUSA-N
MW330.79 g/mol
LogP3.87
Rot. Bonds2

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

[(1R)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol (PubChem CID 141365937) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is [(1R)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol
PubChem CID141365937
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name[(1R)-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?/m1/s1
InChIKeyFQUVIQBVUKIDLN-AAFJCEBUSA-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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol?
The IUPAC name of [(1R)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol (CID 141365937) is [(1R)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol.
What is the SMILES notation for [(1R)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol?
The canonical SMILES for [(1R)-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 [(1R)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol?
The InChIKey is FQUVIQBVUKIDLN-AAFJCEBUSA-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?/m1/s1.
What are the key properties of [(1R)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol?
[(1R)-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 [(1R)-7-chloro-3-(4-fluorophenyl)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl]methanol is sourced from PubChem (CID 141365937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).