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

C14H16N2O — CID 3044012

IUPAC11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol
SMILESCc1c2c(nc3ccccc13)C(O)CCNC2
InChIInChI=1S/C14H16N2O/c1-9-10-4-2-3-5-12(10)16-14-11(9)8-15-7-6-13(14)17/h2-5,13,15,17H,6-8H2,1H3
InChIKeyJZKRFWPINSBSBN-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.07
Rot. Bonds

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

11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol (PubChem CID 3044012) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol.

Molecular Properties

Compound Name11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol
PubChem CID3044012
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol
SMILESCc1c2c(nc3ccccc13)C(O)CCNC2
InChIInChI=1S/C14H16N2O/c1-9-10-4-2-3-5-12(10)16-14-11(9)8-15-7-6-13(14)17/h2-5,13,15,17H,6-8H2,1H3
InChIKeyJZKRFWPINSBSBN-UHFFFAOYSA-N
XLogP2.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol?
The IUPAC name of 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol (CID 3044012) is 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol.
What is the SMILES notation for 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol?
The canonical SMILES for 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol is Cc1c2c(nc3ccccc13)C(O)CCNC2.
What is the InChIKey of 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol?
The InChIKey is JZKRFWPINSBSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-10-4-2-3-5-12(10)16-14-11(9)8-15-7-6-13(14)17/h2-5,13,15,17H,6-8H2,1H3.
What are the key properties of 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol?
11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol has a molecular weight of 228.30 g/mol, XLogP of 2.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol is sourced from PubChem (CID 3044012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).