1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one

C14H15N3O — CID 103964938

IUPAC1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one
SMILESCCN1CCC(=O)Nc2cnc3ccccc3c21
InChIInChI=1S/C14H15N3O/c1-2-17-8-7-13(18)16-12-9-15-11-6-4-3-5-10(11)14(12)17/h3-6,9H,2,7-8H2,1H3,(H,16,18)
InChIKeyDTKIRAMMZSTUDR-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.40
Rot. Bonds1

About 1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one

1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one (PubChem CID 103964938) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one.

Molecular Properties

Compound Name1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one
PubChem CID103964938
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one
SMILESCCN1CCC(=O)Nc2cnc3ccccc3c21
InChIInChI=1S/C14H15N3O/c1-2-17-8-7-13(18)16-12-9-15-11-6-4-3-5-10(11)14(12)17/h3-6,9H,2,7-8H2,1H3,(H,16,18)
InChIKeyDTKIRAMMZSTUDR-UHFFFAOYSA-N
XLogP2.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-2,4-dihydropyrazino[2,3-c]quinolin-3-one
CID 103964959
18-ethyl-15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.013,17]octadeca-1(10),2,4,6,8-pentaen-12-one
CID 103964973
1,3-dihydropyrrolo[2,3-c]quinolin-2-one
CID 178065999
5-thia-2,10,13-triazatetracyclo[9.8.0.02,7.014,19]nonadeca-1(11),12,14,16,18-pentaen-9-one
CID 103964971
1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 113359527
2,9,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 103964912
1-(quinolin-4-ylmethyl)-1,4-diazepane-2,5-dione
CID 79240641
1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965043
2-ethyl-2-methyl-1,4-dihydropyrazino[2,3-c]quinolin-3-one
CID 103964979
1-[(1-ethylindazol-3-yl)methyl]-7-fluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 167823288
3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965077
2-chloro-9-phenyl-7,8-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 58153911

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one?
The IUPAC name of 1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one (CID 103964938) is 1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one.
What is the SMILES notation for 1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one?
The canonical SMILES for 1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one is CCN1CCC(=O)Nc2cnc3ccccc3c21.
What is the InChIKey of 1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one?
The InChIKey is DTKIRAMMZSTUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-17-8-7-13(18)16-12-9-15-11-6-4-3-5-10(11)14(12)17/h3-6,9H,2,7-8H2,1H3,(H,16,18).
What are the key properties of 1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one?
1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one has a molecular weight of 241.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one is sourced from PubChem (CID 103964938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).