1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline

C15H19N3 — CID 113359527

IUPAC1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
SMILESCCN1c2c(cnc3ccccc23)NCCC1C
InChIInChI=1S/C15H19N3/c1-3-18-11(2)8-9-16-14-10-17-13-7-5-4-6-12(13)15(14)18/h4-7,10-11,16H,3,8-9H2,1-2H3
InChIKeyLJKPPGKFXVIZAA-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.27
Rot. Bonds1

About 1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline

1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline (PubChem CID 113359527) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline.

Molecular Properties

Compound Name1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
PubChem CID113359527
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
SMILESCCN1c2c(cnc3ccccc23)NCCC1C
InChIInChI=1S/C15H19N3/c1-3-18-11(2)8-9-16-14-10-17-13-7-5-4-6-12(13)15(14)18/h4-7,10-11,16H,3,8-9H2,1-2H3
InChIKeyLJKPPGKFXVIZAA-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965043
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
2-ethyl-1,2,3,4-tetrahydropyrazino[2,3-c]quinoline
CID 103965017
1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one
CID 103964938
1-(2-methylpropyl)-2,4-dihydropyrazino[2,3-c]quinolin-3-one
CID 103964959
3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965077
2,9,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 103964912
4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
CID 55076424
2-methyl-4H-[1,4]oxazino[3,2-c]quinolin-3-one
CID 141425510
4-[3-(diethylamino)pyrrolidin-1-yl]quinolin-3-amine
CID 103963279
3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965076
4-(2-ethylpyrrolidin-3-yl)quinoline
CID 63868928

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
The IUPAC name of 1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline (CID 113359527) is 1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline.
What is the SMILES notation for 1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
The canonical SMILES for 1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline is CCN1c2c(cnc3ccccc23)NCCC1C.
What is the InChIKey of 1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
The InChIKey is LJKPPGKFXVIZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-18-11(2)8-9-16-14-10-17-13-7-5-4-6-12(13)15(14)18/h4-7,10-11,16H,3,8-9H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline has a molecular weight of 241.34 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline is sourced from PubChem (CID 113359527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).