N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide

C23H20FN3O2 — CID 166525865

IUPACN-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCCc2[nH]c(=O)c3cc(F)ccc3c21
InChIInChI=1S/C23H20FN3O2/c1-27(23(29)19-11-13-5-2-3-6-17(13)25-19)20-8-4-7-18-21(20)15-10-9-14(24)12-16(15)22(28)26-18/h2-3,5-6,9-12,20,25H,4,7-8H2,1H3,(H,26,28)/t20-/m1/s1
InChIKeyVIHVFIQRZWLXGI-HXUWFJFHSA-N
MW389.43 g/mol
LogP4.30
Rot. Bonds2

About N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide

N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide (PubChem CID 166525865) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide
PubChem CID166525865
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCCc2[nH]c(=O)c3cc(F)ccc3c21
InChIInChI=1S/C23H20FN3O2/c1-27(23(29)19-11-13-5-2-3-6-17(13)25-19)20-8-4-7-18-21(20)15-10-9-14(24)12-16(15)22(28)26-18/h2-3,5-6,9-12,20,25H,4,7-8H2,1H3,(H,26,28)/t20-/m1/s1
InChIKeyVIHVFIQRZWLXGI-HXUWFJFHSA-N
XLogP4.30
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl)-N-methyl-1H-indole-2-carboxamide
CID 166525939
N-[(1R)-8-fluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166526179
N-[(1R)-8,9-difluoro-3-(2-hydroxyethyl)-6-oxo-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166526267
N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166527009
4-(difluoromethyl)-N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166525893
6-fluoro-N-(8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-benzo[c][1,7]naphthyridin-1-yl)-N,4-dimethyl-1H-indole-2-carboxamide
CID 175614781
(1R)-8-fluoro-1-[[(1R)-1-(4-methoxyphenyl)ethyl]-methylamino]-2,3,4,5-tetrahydro-1H-phenanthridin-6-one
CID 171750587
N-[(1R)-8,9-difluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-6-fluoro-N-methyl-1H-indole-2-carboxamide
CID 166526733
N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N,4-dimethyl-1H-indole-2-carboxamide
CID 166526652
6-(difluoromethyl)-5-fluoro-N-[(1S)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166525870
4-(difluoromethyl)-6-fluoro-N-(8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl)-N-methyl-1H-indole-2-carboxamide
CID 166526623
4-chloro-6-fluoro-N-[(1R)-8-fluoro-6-oxo-1,2,4,5-tetrahydropyrano[3,4-c]isoquinolin-1-yl]-N-methyl-1H-indole-2-carboxamide
CID 166526574

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide (CID 166525865) is N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide is CN(C(=O)c1cc2ccccc2[nH]1)[C@@H]1CCCc2[nH]c(=O)c3cc(F)ccc3c21.
What is the InChIKey of N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is VIHVFIQRZWLXGI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-27(23(29)19-11-13-5-2-3-6-17(13)25-19)20-8-4-7-18-21(20)15-10-9-14(24)12-16(15)22(28)26-18/h2-3,5-6,9-12,20,25H,4,7-8H2,1H3,(H,26,28)/t20-/m1/s1.
What are the key properties of N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide?
N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-8-fluoro-6-oxo-2,3,4,5-tetrahydro-1H-phenanthridin-1-yl]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 166525865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).