3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile

C22H15FN4O — CID 53236893

IUPAC3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
SMILESN#Cc1ccc([C@H]2C[C@](O)(c3cnc4ccccc4c3)c3cncn32)c(F)c1
InChIInChI=1S/C22H15FN4O/c23-18-7-14(10-24)5-6-17(18)20-9-22(28,21-12-25-13-27(20)21)16-8-15-3-1-2-4-19(15)26-11-16/h1-8,11-13,20,28H,9H2/t20-,22+/m1/s1
InChIKeyDXWWMMMUTADQTE-IRLDBZIGSA-N
MW370.39 g/mol
LogP3.67
Rot. Bonds2

About 3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile

3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile (PubChem CID 53236893) has the molecular formula C22H15FN4O and a molecular weight of 370.39 g/mol. Its IUPAC name is 3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
PubChem CID53236893
Molecular FormulaC22H15FN4O
Molecular Weight370.39 g/mol
Exact Mass370.12
IUPAC Name3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile
SMILESN#Cc1ccc([C@H]2C[C@](O)(c3cnc4ccccc4c3)c3cncn32)c(F)c1
InChIInChI=1S/C22H15FN4O/c23-18-7-14(10-24)5-6-17(18)20-9-22(28,21-12-25-13-27(20)21)16-8-15-3-1-2-4-19(15)26-11-16/h1-8,11-13,20,28H,9H2/t20-,22+/m1/s1
InChIKeyDXWWMMMUTADQTE-IRLDBZIGSA-N
XLogP3.67
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
The IUPAC name of 3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile (CID 53236893) is 3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile is N#Cc1ccc([C@H]2C[C@](O)(c3cnc4ccccc4c3)c3cncn32)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
The InChIKey is DXWWMMMUTADQTE-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H15FN4O/c23-18-7-14(10-24)5-6-17(18)20-9-22(28,21-12-25-13-27(20)21)16-8-15-3-1-2-4-19(15)26-11-16/h1-8,11-13,20,28H,9H2/t20-,22+/m1/s1.
What are the key properties of 3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile?
3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile has a molecular weight of 370.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(5R,7S)-7-hydroxy-7-quinolin-3-yl-5,6-dihydropyrrolo[1,2-c]imidazol-5-yl]benzonitrile is sourced from PubChem (CID 53236893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).