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

C14H17N3 — CID 103965076

IUPAC3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
SMILESCC1(C)CNc2cnc3ccccc3c2NC1
InChIInChI=1S/C14H17N3/c1-14(2)8-16-12-7-15-11-6-4-3-5-10(11)13(12)17-9-14/h3-7,16-17H,8-9H2,1-2H3
InChIKeyIDLBUUVNKUUYAZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.10
Rot. Bonds

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

3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline (PubChem CID 103965076) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline.

Molecular Properties

Compound Name3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
PubChem CID103965076
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
SMILESCC1(C)CNc2cnc3ccccc3c2NC1
InChIInChI=1S/C14H17N3/c1-14(2)8-16-12-7-15-11-6-4-3-5-10(11)13(12)17-9-14/h3-7,16-17H,8-9H2,1-2H3
InChIKeyIDLBUUVNKUUYAZ-UHFFFAOYSA-N
XLogP3.10
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-diethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965077
2-methyl-2-phenyl-3,4-dihydro-1H-pyrazino[2,3-c]quinoline
CID 103965038
2-ethyl-1,2,3,4-tetrahydropyrazino[2,3-c]quinoline
CID 103965017
3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 80503717
2-ethyl-2-methyl-1,4-dihydropyrazino[2,3-c]quinolin-3-one
CID 103964979
1,3-dihydropyrrolo[2,3-c]quinolin-2-one
CID 178065999
spiro[1,4-dihydropyrazino[2,3-c]quinoline-2,1'-cyclopentane]-3-one
CID 103964955
1-methyl-2,3,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline
CID 103965043
2-(1-methylpyrazol-4-yl)-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-3-one
CID 103964991
2-(trifluoromethoxy)-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
CID 140617736
N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine
CID 135604628
2-methyl-4H-[1,4]oxazino[3,2-c]quinolin-3-one
CID 141425510

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
The IUPAC name of 3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline (CID 103965076) is 3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline.
What is the SMILES notation for 3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
The canonical SMILES for 3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline is CC1(C)CNc2cnc3ccccc3c2NC1.
What is the InChIKey of 3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
The InChIKey is IDLBUUVNKUUYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-14(2)8-16-12-7-15-11-6-4-3-5-10(11)13(12)17-9-14/h3-7,16-17H,8-9H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline?
3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline has a molecular weight of 227.31 g/mol, XLogP of 3.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,2,4,5-tetrahydro-[1,4]diazepino[2,3-c]quinoline is sourced from PubChem (CID 103965076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).