11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline

C14H16N2 — CID 3044001

IUPAC11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline
SMILESCc1c2c(nc3ccccc13)CCCNC2
InChIInChI=1S/C14H16N2/c1-10-11-5-2-3-6-13(11)16-14-7-4-8-15-9-12(10)14/h2-3,5-6,15H,4,7-9H2,1H3
InChIKeyXYVNDHODYMIWAP-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.58
Rot. Bonds

About 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline

11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline (PubChem CID 3044001) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline.

Molecular Properties

Compound Name11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline
PubChem CID3044001
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline
SMILESCc1c2c(nc3ccccc13)CCCNC2
InChIInChI=1S/C14H16N2/c1-10-11-5-2-3-6-13(11)16-14-7-4-8-15-9-12(10)14/h2-3,5-6,15H,4,7-9H2,1H3
InChIKeyXYVNDHODYMIWAP-UHFFFAOYSA-N
XLogP2.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline with MolForge

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Related Compounds

11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol
CID 3044012
11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline
CID 143904669
9-piperidin-3-yl-1,2,3,4-tetrahydroacridine
CID 165348457
2,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 58351930
9-iodo-1,2,3,4-tetrahydroacridine
CID 628104
3-benzyl-2-chloro-4-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 86690271
1,2,3,4-tetrahydroacridin-9-amine;dihydroiodide
CID 89284205
morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone
CID 58440618
2,3,4-trimethyl-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 20689236
6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75464980
(4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine
CID 7063961
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82449837

Frequently Asked Questions

What is the IUPAC name of 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline?
The IUPAC name of 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline (CID 3044001) is 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline.
What is the SMILES notation for 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline?
The canonical SMILES for 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline is Cc1c2c(nc3ccccc13)CCCNC2.
What is the InChIKey of 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline?
The InChIKey is XYVNDHODYMIWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-11-5-2-3-6-13(11)16-14-7-4-8-15-9-12(10)14/h2-3,5-6,15H,4,7-9H2,1H3.
What are the key properties of 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline?
11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline has a molecular weight of 212.30 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline is sourced from PubChem (CID 3044001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).