2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol

C22H19FN2O — CID 142445420

IUPAC2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol
SMILESCc1cc2c(ccc3nc(-c4ccc(O)c(F)c4)c4c(c32)CCCC4)[nH]1
InChIInChI=1S/C22H19FN2O/c1-12-10-16-18(24-12)7-8-19-21(16)14-4-2-3-5-15(14)22(25-19)13-6-9-20(26)17(23)11-13/h6-11,24,26H,2-5H2,1H3
InChIKeyNMZBNAAVINBSHV-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.42
Rot. Bonds1

About 2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol

2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol (PubChem CID 142445420) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol
PubChem CID142445420
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol
SMILESCc1cc2c(ccc3nc(-c4ccc(O)c(F)c4)c4c(c32)CCCC4)[nH]1
InChIInChI=1S/C22H19FN2O/c1-12-10-16-18(24-12)7-8-19-21(16)14-4-2-3-5-15(14)22(25-19)13-6-9-20(26)17(23)11-13/h6-11,24,26H,2-5H2,1H3
InChIKeyNMZBNAAVINBSHV-UHFFFAOYSA-N
XLogP5.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol?
The IUPAC name of 2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol (CID 142445420) is 2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol.
What is the SMILES notation for 2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol?
The canonical SMILES for 2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol is Cc1cc2c(ccc3nc(-c4ccc(O)c(F)c4)c4c(c32)CCCC4)[nH]1.
What is the InChIKey of 2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol?
The InChIKey is NMZBNAAVINBSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c1-12-10-16-18(24-12)7-8-19-21(16)14-4-2-3-5-15(14)22(25-19)13-6-9-20(26)17(23)11-13/h6-11,24,26H,2-5H2,1H3.
What are the key properties of 2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol?
2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol has a molecular weight of 346.41 g/mol, XLogP of 5.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol is sourced from PubChem (CID 142445420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).