ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate

C15H15N3O3 — CID 50877377

IUPACethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate
SMILESCCOC(=O)c1ccc2c3c(cnc2c1)C(=O)NCCN3
InChIInChI=1S/C15H15N3O3/c1-2-21-15(20)9-3-4-10-12(7-9)18-8-11-13(10)16-5-6-17-14(11)19/h3-4,7-8,16H,2,5-6H2,1H3,(H,17,19)
InChIKeyRTCQTLTUNWDDAI-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.57
Rot. Bonds2

About ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate

ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate (PubChem CID 50877377) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate
PubChem CID50877377
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Nameethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate
SMILESCCOC(=O)c1ccc2c3c(cnc2c1)C(=O)NCCN3
InChIInChI=1S/C15H15N3O3/c1-2-21-15(20)9-3-4-10-12(7-9)18-8-11-13(10)16-5-6-17-14(11)19/h3-4,7-8,16H,2,5-6H2,1H3,(H,17,19)
InChIKeyRTCQTLTUNWDDAI-UHFFFAOYSA-N
XLogP1.57
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-ethoxyquinoline-7-carboxylate
CID 91667888
ethyl 3-chloro-2H-indazole-6-carboxylate
CID 131699852
diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
CID 43839933
ethyl 4-chloroquinazoline-7-carboxylate
CID 71743581
ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate
CID 43839924
ethyl 2-(4-methylphenyl)quinoxaline-6-carboxylate
CID 175538196
ethyl 4-oxo-3H-quinazoline-6-carboxylate
CID 135742218
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
ethyl 3-methoxyquinoxaline-6-carboxylate
CID 89443102
ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 122554521
3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate
CID 46397906
ethyl 1,4-dichloroisoquinoline-7-carboxylate
CID 18698389

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate?
The IUPAC name of ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate (CID 50877377) is ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate.
What is the SMILES notation for ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate?
The canonical SMILES for ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate is CCOC(=O)c1ccc2c3c(cnc2c1)C(=O)NCCN3.
What is the InChIKey of ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate?
The InChIKey is RTCQTLTUNWDDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-21-15(20)9-3-4-10-12(7-9)18-8-11-13(10)16-5-6-17-14(11)19/h3-4,7-8,16H,2,5-6H2,1H3,(H,17,19).
What are the key properties of ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate?
ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinoline-9-carboxylate is sourced from PubChem (CID 50877377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).