11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C21H21N3O — CID 155974851

IUPAC11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCc1cc(N2CC3CC(C2)c2cccc(=O)n2C3)nc2ccccc12
InChIInChI=1S/C21H21N3O/c1-14-9-20(22-18-6-3-2-5-17(14)18)23-11-15-10-16(13-23)19-7-4-8-21(25)24(19)12-15/h2-9,15-16H,10-13H2,1H3
InChIKeyDRSQJYJQEPWESD-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.33
Rot. Bonds1

About 11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 155974851) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID155974851
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCc1cc(N2CC3CC(C2)c2cccc(=O)n2C3)nc2ccccc12
InChIInChI=1S/C21H21N3O/c1-14-9-20(22-18-6-3-2-5-17(14)18)23-11-15-10-16(13-23)19-7-4-8-21(25)24(19)12-15/h2-9,15-16H,10-13H2,1H3
InChIKeyDRSQJYJQEPWESD-UHFFFAOYSA-N
XLogP3.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one with MolForge

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Related Compounds

4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
Mesmar
CID 3025767
4-methyl-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide
CID 16002169
1-{4-[2-Methyl-4-(quinolin-2-yl)piperazin-1-yl]butyl}piperidine-2,6-dione
CID 25093401
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11222968
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dibutylamide
CID 11223216
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11326121
N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide
CID 11348290
3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11394108
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11485023
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid benzyl-methyl-amide
CID 11485632

Frequently Asked Questions

What is the IUPAC name of 11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of 11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 155974851) is 11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for 11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for 11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is Cc1cc(N2CC3CC(C2)c2cccc(=O)n2C3)nc2ccccc12.
What is the InChIKey of 11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is DRSQJYJQEPWESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-9-20(22-18-6-3-2-5-17(14)18)23-11-15-10-16(13-23)19-7-4-8-21(25)24(19)12-15/h2-9,15-16H,10-13H2,1H3.
What are the key properties of 11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 331.42 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methylquinolin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 155974851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).