4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline

C24H29N3 — CID 169235816

IUPAC4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline
SMILESCC.CC(C)c1cncc2ccccc12.Cc1ncnc2c(C)cccc12
InChIInChI=1S/C12H13N.C10H10N2.C2H6/c1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-7-4-3-5-9-8(2)11-6-12-10(7)9;1-2/h3-9H,1-2H3;3-6H,1-2H3;1-2H3
InChIKeyLPMOBRLRUKJYNZ-UHFFFAOYSA-N
MW359.52 g/mol
LogP6.63
Rot. Bonds1

About 4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline

4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline (PubChem CID 169235816) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is 4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline.

Molecular Properties

Compound Name4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline
PubChem CID169235816
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC Name4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline
SMILESCC.CC(C)c1cncc2ccccc12.Cc1ncnc2c(C)cccc12
InChIInChI=1S/C12H13N.C10H10N2.C2H6/c1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-7-4-3-5-9-8(2)11-6-12-10(7)9;1-2/h3-9H,1-2H3;3-6H,1-2H3;1-2H3
InChIKeyLPMOBRLRUKJYNZ-UHFFFAOYSA-N
XLogP6.63
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.52
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline 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

(1R)-1-isoquinolin-4-ylethanol
CID 102064621
4-(4-bromopentan-2-yl)isoquinoline
CID 64720588
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105147400
1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
CID 63940367
4,8-di(propan-2-yl)isoquinoline
CID 59590591
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
N-[isoquinolin-4-yl-(2-methylphenyl)methyl]ethanamine
CID 63939788
isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine
CID 106755324
(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol
CID 105097633
2-ethyl-1-isoquinolin-4-ylbutan-1-amine
CID 115856307
1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105147431

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline?
The IUPAC name of 4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline (CID 169235816) is 4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline.
What is the SMILES notation for 4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline?
The canonical SMILES for 4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline is CC.CC(C)c1cncc2ccccc12.Cc1ncnc2c(C)cccc12.
What is the InChIKey of 4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline?
The InChIKey is LPMOBRLRUKJYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C10H10N2.C2H6/c1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-7-4-3-5-9-8(2)11-6-12-10(7)9;1-2/h3-9H,1-2H3;3-6H,1-2H3;1-2H3.
What are the key properties of 4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline?
4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline has a molecular weight of 359.52 g/mol, XLogP of 6.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylquinazoline;ethane;4-propan-2-ylisoquinoline is sourced from PubChem (CID 169235816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).