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

C16H21N3 — CID 103965077

IUPAC3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
SMILESCCC1(CC)CNc2cnc3ccccc3c2NC1
InChIInChI=1S/C16H21N3/c1-3-16(4-2)10-18-14-9-17-13-8-6-5-7-12(13)15(14)19-11-16/h5-9,18-19H,3-4,10-11H2,1-2H3
InChIKeyZIHCRJFPOKXXNN-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.88
Rot. Bonds2

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

3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline (PubChem CID 103965077) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline.

Molecular Properties

Compound Name3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
PubChem CID103965077
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
SMILESCCC1(CC)CNc2cnc3ccccc3c2NC1
InChIInChI=1S/C16H21N3/c1-3-16(4-2)10-18-14-9-17-13-8-6-5-7-12(13)15(14)19-11-16/h5-9,18-19H,3-4,10-11H2,1-2H3
InChIKeyZIHCRJFPOKXXNN-UHFFFAOYSA-N
XLogP3.88
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965076
2-ethyl-1,2,3,4-tetrahydropyrazino[2,3-c]quinoline
CID 103965017
2-methyl-2-phenyl-3,4-dihydro-1H-pyrazino[2,3-c]quinoline
CID 103965038
2-ethyl-2-methyl-1,4-dihydropyrazino[2,3-c]quinolin-3-one
CID 103964979
N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine
CID 135604628
1,3-dihydropyrrolo[2,3-c]quinolin-2-one
CID 178065999
1-ethyl-2-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 113359527
2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one
CID 103964991
spiro[1,4-dihydropyrazino[2,3-c]quinoline-2,1'-cyclopentane]-3-one
CID 103964955
1-ethyl-3,5-dihydro-2H-[1,4]diazepino[2,3-c]quinolin-4-one
CID 103964938
3,3-diethyl-7-methyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115431539
1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965043

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
The IUPAC name of 3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline (CID 103965077) is 3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline.
What is the SMILES notation for 3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
The canonical SMILES for 3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline is CCC1(CC)CNc2cnc3ccccc3c2NC1.
What is the InChIKey of 3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
The InChIKey is ZIHCRJFPOKXXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-16(4-2)10-18-14-9-17-13-8-6-5-7-12(13)15(14)19-11-16/h5-9,18-19H,3-4,10-11H2,1-2H3.
What are the key properties of 3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline has a molecular weight of 255.37 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline is sourced from PubChem (CID 103965077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).