1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide

C19H17N3O2 — CID 57392344

IUPAC1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2cc3n(c2c1)CCCNC3=O
InChIInChI=1S/C19H17N3O2/c23-18(21-15-5-2-1-3-6-15)14-8-7-13-11-17-19(24)20-9-4-10-22(17)16(13)12-14/h1-3,5-8,11-12H,4,9-10H2,(H,20,24)(H,21,23)
InChIKeyNMSKCMQPIFOSHU-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.03
Rot. Bonds2

About 1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide

1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide (PubChem CID 57392344) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide.

Molecular Properties

Compound Name1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
PubChem CID57392344
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2cc3n(c2c1)CCCNC3=O
InChIInChI=1S/C19H17N3O2/c23-18(21-15-5-2-1-3-6-15)14-8-7-13-11-17-19(24)20-9-4-10-22(17)16(13)12-14/h1-3,5-8,11-12H,4,9-10H2,(H,20,24)(H,21,23)
InChIKeyNMSKCMQPIFOSHU-UHFFFAOYSA-N
XLogP3.03
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide?
The IUPAC name of 1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide (CID 57392344) is 1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide.
What is the SMILES notation for 1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide?
The canonical SMILES for 1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide is O=C(Nc1ccccc1)c1ccc2cc3n(c2c1)CCCNC3=O.
What is the InChIKey of 1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide?
The InChIKey is NMSKCMQPIFOSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18(21-15-5-2-1-3-6-15)14-8-7-13-11-17-19(24)20-9-4-10-22(17)16(13)12-14/h1-3,5-8,11-12H,4,9-10H2,(H,20,24)(H,21,23).
What are the key properties of 1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide?
1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide is sourced from PubChem (CID 57392344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).