(E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine

C21H20N4O — CID 42598159

IUPAC(E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine
SMILESCO/N=C1\c2ccccc2-c2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H20N4O/c1-26-24-20-15-7-3-2-6-14(15)19-18(20)16-8-4-5-9-17(16)23-21(19)25-12-10-22-11-13-25/h2-9,22H,10-13H2,1H3/b24-20+
InChIKeyREYMBJLTZWJYPD-HIXSDJFHSA-N
MW344.42 g/mol
LogP3.02
Rot. Bonds2

About (E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine

(E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine (PubChem CID 42598159) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine.

Molecular Properties

Compound Name(E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine
PubChem CID42598159
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine
SMILESCO/N=C1\c2ccccc2-c2c(N3CCNCC3)nc3ccccc3c21
InChIInChI=1S/C21H20N4O/c1-26-24-20-15-7-3-2-6-14(15)19-18(20)16-8-4-5-9-17(16)23-21(19)25-12-10-22-11-13-25/h2-9,22H,10-13H2,1H3/b24-20+
InChIKeyREYMBJLTZWJYPD-HIXSDJFHSA-N
XLogP3.02
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8,9-dimethoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-one
CID 68770621
3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine
CID 74369056
7-piperazin-1-yl-6H-chromeno[3,4-c]quinoline
CID 10018725
2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride
CID 71643070
6-(4-methylpiperazin-1-yl)-7H-indeno[2,3-c]quinolin-7-ol
CID 15162744
4-methyl-2-piperazin-1-ylquinoline
CID 598754
2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 17040066
2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19763543
9-chloro-6-(4-methylpiperazin-1-yl)indeno[1,2-c]quinolin-11-one
CID 118223476
6-(azepan-1-yl)-9-chloroindeno[1,2-c]quinolin-11-one
CID 118223493
3-chloro-2-methyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236420
3-bromo-2-piperazin-1-ylquinoline;hydrochloride
CID 166485617

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine?
The IUPAC name of (E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine (CID 42598159) is (E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine.
What is the SMILES notation for (E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine?
The canonical SMILES for (E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine is CO/N=C1\c2ccccc2-c2c(N3CCNCC3)nc3ccccc3c21.
What is the InChIKey of (E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine?
The InChIKey is REYMBJLTZWJYPD-HIXSDJFHSA-N. The full InChI is InChI=1S/C21H20N4O/c1-26-24-20-15-7-3-2-6-14(15)19-18(20)16-8-4-5-9-17(16)23-21(19)25-12-10-22-11-13-25/h2-9,22H,10-13H2,1H3/b24-20+.
What are the key properties of (E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine?
(E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine has a molecular weight of 344.42 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine is sourced from PubChem (CID 42598159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).