7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline

C21H20N4 — CID 123154019

IUPAC7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline
SMILESCc1ccccc1-c1ncc2c(n1)N(C)C1CCc3ccccc3N21
InChIInChI=1S/C21H20N4/c1-14-7-3-5-9-16(14)20-22-13-18-21(23-20)24(2)19-12-11-15-8-4-6-10-17(15)25(18)19/h3-10,13,19H,11-12H2,1-2H3
InChIKeyRESSBFVRNVIZLV-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.31
Rot. Bonds1

About 7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline

7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline (PubChem CID 123154019) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline.

Molecular Properties

Compound Name7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline
PubChem CID123154019
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline
SMILESCc1ccccc1-c1ncc2c(n1)N(C)C1CCc3ccccc3N21
InChIInChI=1S/C21H20N4/c1-14-7-3-5-9-16(14)20-22-13-18-21(23-20)24(2)19-12-11-15-8-4-6-10-17(15)25(18)19/h3-10,13,19H,11-12H2,1-2H3
InChIKeyRESSBFVRNVIZLV-UHFFFAOYSA-N
XLogP4.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,6-di(propan-2-yl)phenyl]-11-methyl-10,10a-dihydropurino[7,8-a]indole;4-[2,6-di(propan-2-yl)phenyl]-8-methyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene;2-[3,5-di(propan-2-yl)-4-pyridinyl]-11-methyl-10,10a-dihydropurino[7,8-a]indole;11-methyl-2-(2-methylphenyl)-10,10a-dihydropurino[7,8-a]indole
CID 157133385
4-ethyl-6-methyl-9-(2-methylphenyl)-6,8,10,13-tetrazahexacyclo[15.2.1.01,4.05,13.07,12.014,19]icosa-7,9,11,14(19),15,17-hexaene
CID 123219390
3,28-dimethyl-17-methylidene-6-(2-methylphenyl)-3,5,7,10,25,28-hexazaheptacyclo[16.11.0.02,10.04,9.011,16.019,24.025,29]nonacosa-4,6,8,11,13,15,19,21,23,26-decaene
CID 129013986
7,8-dimethyl-9-[2-(4-methylheptan-3-yl)phenyl]-2-(2-methylphenyl)-8H-purine;ethane
CID 145103575
2-[2,6-di(propan-2-yl)phenyl]-5-methyl-5a,6-dihydropurino[9,8-a]indole;5-methyl-2-(2-methylphenyl)-5a,6-dihydropurino[9,8-a]indole;11-pyridin-3-yl-10,10a-dihydropurino[7,8-a]indole;11-pyridin-4-yl-10,10a-dihydropurino[7,8-a]indole;11-thiophen-2-yl-10,10a-dihydropurino[7,8-a]indole
CID 158102445
3,28-dimethyl-17-methylidene-7-(2-methylphenyl)-3,6,8,10,25,28-hexazaheptacyclo[16.11.0.02,10.04,9.011,16.019,24.025,29]nonacosa-4,6,8,11,13,15,19,21,23,26-decaene
CID 129013989
1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 63445545
5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carbaldehyde
CID 80638315
[4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol
CID 83184186
2-[5-methyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]ethanamine
CID 80638369
N,1,3-trimethyl-3a,4,5,6-tetrahydroimidazo[1,2-a][1]benzazepin-4-amine
CID 166924415
1-[2-(2-methylphenyl)pyrimidin-5-yl]cyclopropan-1-ol
CID 84790978

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline?
The IUPAC name of 7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline (CID 123154019) is 7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline.
What is the SMILES notation for 7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline?
The canonical SMILES for 7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline is Cc1ccccc1-c1ncc2c(n1)N(C)C1CCc3ccccc3N21.
What is the InChIKey of 7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline?
The InChIKey is RESSBFVRNVIZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-14-7-3-5-9-16(14)20-22-13-18-21(23-20)24(2)19-12-11-15-8-4-6-10-17(15)25(18)19/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of 7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline?
7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline has a molecular weight of 328.42 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-(2-methylphenyl)-6,6a-dihydro-5H-purino[7,8-a]quinoline is sourced from PubChem (CID 123154019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).