ethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate

C16H14N2O2 — CID 141197366

IUPACethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate
SMILESCCOC(=O)C1=CN=c2c(ccc3c2=CC=CN=C3)C1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)13-8-11-5-6-12-9-17-7-3-4-14(12)15(11)18-10-13/h3-7,9-10H,2,8H2,1H3
InChIKeyPXKVFYJMRHBMGF-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.04
Rot. Bonds2

About ethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate

ethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate (PubChem CID 141197366) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate
PubChem CID141197366
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate
SMILESCCOC(=O)C1=CN=c2c(ccc3c2=CC=CN=C3)C1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)13-8-11-5-6-12-9-17-7-3-4-14(12)15(11)18-10-13/h3-7,9-10H,2,8H2,1H3
InChIKeyPXKVFYJMRHBMGF-UHFFFAOYSA-N
XLogP1.04
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate?
The IUPAC name of ethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate (CID 141197366) is ethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate.
What is the SMILES notation for ethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate?
The canonical SMILES for ethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate is CCOC(=O)C1=CN=c2c(ccc3c2=CC=CN=C3)C1.
What is the InChIKey of ethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate?
The InChIKey is PXKVFYJMRHBMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-16(19)13-8-11-5-6-12-9-17-7-3-4-14(12)15(11)18-10-13/h3-7,9-10H,2,8H2,1H3.
What are the key properties of ethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate?
ethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4H-pyrido[2,3-g][2]benzazepine-3-carboxylate is sourced from PubChem (CID 141197366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).