5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline

C18H22N4 — CID 138752470

IUPAC5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline
SMILESCC1c2ccccc2N2c3cncnc3N(C(C)C)C2C1C
InChIInChI=1S/C18H22N4/c1-11(2)21-17-16(9-19-10-20-17)22-15-8-6-5-7-14(15)12(3)13(4)18(21)22/h5-13,18H,1-4H3
InChIKeyKIQNHCCNWIDVCZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.92
Rot. Bonds1

About 5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline

5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline (PubChem CID 138752470) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline.

Molecular Properties

Compound Name5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline
PubChem CID138752470
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline
SMILESCC1c2ccccc2N2c3cncnc3N(C(C)C)C2C1C
InChIInChI=1S/C18H22N4/c1-11(2)21-17-16(9-19-10-20-17)22-15-8-6-5-7-14(15)12(3)13(4)18(21)22/h5-13,18H,1-4H3
InChIKeyKIQNHCCNWIDVCZ-UHFFFAOYSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-7-propan-2-yl-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

5,5,6-triethyl-7-propan-2-yl-6,6a-dihydropurino[7,8-a]quinoline
CID 123242421
5-ethenyl-6-methyl-7-pyridin-3-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline
CID 139460775
(10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
CID 166931997
8,9,10,10,12-pentamethyl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene
CID 146532702
(2R)-2-methyl-3-(2-methylphenyl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
CID 118084606
(1Z,3E)-3-[(5S)-6-ethyl-5,7-dimethyl-6,6a-dihydro-5H-purino[7,8-a]quinolin-9-yl]-4,5-dimethylhexa-1,3-dien-1-amine
CID 145072042
8,10-diethyl-9,10-dimethyl-12-thiophen-2-yl-1,12,15,17-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2,4,6,13,15,17-hexaene
CID 123269617
8,9-diethyl-13-pyridin-4-yl-1,13,15,17-tetrazatetracyclo[10.7.0.02,7.014,19]nonadeca-2,4,6,14,16,18-hexaene
CID 123592363
3-methyl-17-methylidene-33-phenyl-3,6,8,10,26,33-hexazaoctacyclo[17.15.0.02,10.04,9.011,16.020,25.026,34.027,32]tetratriaconta-4,6,8,11,13,15,20,22,24,27,29,31-dodecaene
CID 138507493
1,2-dimethyl-3-propan-2-yl-2H-benzimidazole
CID 160589142
9-[2,6-di(propan-2-yl)phenyl]-5-ethenyl-6,7-dimethyl-6,6a-dihydro-5H-purino[7,8-a]quinoline
CID 126497165
4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 79910439

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline?
The IUPAC name of 5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline (CID 138752470) is 5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline.
What is the SMILES notation for 5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline?
The canonical SMILES for 5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline is CC1c2ccccc2N2c3cncnc3N(C(C)C)C2C1C.
What is the InChIKey of 5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline?
The InChIKey is KIQNHCCNWIDVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-11(2)21-17-16(9-19-10-20-17)22-15-8-6-5-7-14(15)12(3)13(4)18(21)22/h5-13,18H,1-4H3.
What are the key properties of 5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline?
5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline has a molecular weight of 294.40 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-propan-2-yl-6,6a-dihydro-5H-purino[7,8-a]quinoline is sourced from PubChem (CID 138752470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).