4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide

C22H19N3O — CID 142445291

IUPAC4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide
SMILESNC(=O)c1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1
InChIInChI=1S/C22H19N3O/c23-22(26)14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-24-18(17)9-10-19(20)25-21/h5-12,25H,1-4H2,(H2,23,26)
InChIKeyPTRIWUJDNOCWOB-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.36
Rot. Bonds2

About 4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide

4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide (PubChem CID 142445291) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide.

Molecular Properties

Compound Name4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide
PubChem CID142445291
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide
SMILESNC(=O)c1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1
InChIInChI=1S/C22H19N3O/c23-22(26)14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-24-18(17)9-10-19(20)25-21/h5-12,25H,1-4H2,(H2,23,26)
InChIKeyPTRIWUJDNOCWOB-UHFFFAOYSA-N
XLogP4.36
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide?
The IUPAC name of 4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide (CID 142445291) is 4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide.
What is the SMILES notation for 4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide?
The canonical SMILES for 4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide is NC(=O)c1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.
What is the InChIKey of 4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide?
The InChIKey is PTRIWUJDNOCWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c23-22(26)14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-24-18(17)9-10-19(20)25-21/h5-12,25H,1-4H2,(H2,23,26).
What are the key properties of 4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide?
4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide has a molecular weight of 341.41 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)benzamide is sourced from PubChem (CID 142445291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).