7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline

C111H124F3N23O2 — CID 157276114

IUPAC7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline
SMILESCC(C)c1ccnc2ccccc12.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2c(C(F)(F)F)cccc12.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2cccnc12.CC(C)c1ncnc2cnccc12.CC(C)c1ncnc2ncccc12.COc1ccc2c(C(C)C)ncnc2c1.COc1cccc2c(C(C)C)ncnc12.Cc1ccc2c(C(C)C)ncnc2c1
InChIInChI=1S/C12H11F3N2.2C12H14N2O.C12H14N2.2C12H13N.3C10H11N3.C9H12N4/c1-7(2)10-8-4-3-5-9(12(13,14)15)11(8)17-6-16-10;1-8(2)12-10-5-4-9(15-3)6-11(10)13-7-14-12;1-8(2)11-9-5-4-6-10(15-3)12(9)14-7-13-11;1-8(2)12-10-5-4-9(3)6-11(10)13-7-14-12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-7(2)10-8-3-4-11-5-9(8)12-6-13-10;1-7(2)9-10-8(12-6-13-9)4-3-5-11-10;1-7(2)9-8-4-3-5-11-10(8)13-6-12-9;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8/h3-7H,1-2H3;2*4-8H,1-3H3;4-8H,1-3H3;2*3-9H,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3
InChIKeyAZCUUWFVJRSWEH-UHFFFAOYSA-N
MW1869.37 g/mol
LogP27.00
Rot. Bonds12

About 7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline

7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline (PubChem CID 157276114) has the molecular formula C111H124F3N23O2 and a molecular weight of 1869.37 g/mol. Its IUPAC name is 7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline
PubChem CID157276114
Molecular FormulaC111H124F3N23O2
Molecular Weight1869.37 g/mol
Exact Mass1868.03
IUPAC Name7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline
SMILESCC(C)c1ccnc2ccccc12.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2c(C(F)(F)F)cccc12.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2cccnc12.CC(C)c1ncnc2cnccc12.CC(C)c1ncnc2ncccc12.COc1ccc2c(C(C)C)ncnc2c1.COc1cccc2c(C(C)C)ncnc12.Cc1ccc2c(C(C)C)ncnc2c1
InChIInChI=1S/C12H11F3N2.2C12H14N2O.C12H14N2.2C12H13N.3C10H11N3.C9H12N4/c1-7(2)10-8-4-3-5-9(12(13,14)15)11(8)17-6-16-10;1-8(2)12-10-5-4-9(15-3)6-11(10)13-7-14-12;1-8(2)11-9-5-4-6-10(15-3)12(9)14-7-13-11;1-8(2)12-10-5-4-9(3)6-11(10)13-7-14-12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-7(2)10-8-3-4-11-5-9(8)12-6-13-10;1-7(2)9-10-8(12-6-13-9)4-3-5-11-10;1-7(2)9-8-4-3-5-11-10(8)13-6-12-9;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8/h3-7H,1-2H3;2*4-8H,1-3H3;4-8H,1-3H3;2*3-9H,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3
InChIKeyAZCUUWFVJRSWEH-UHFFFAOYSA-N
XLogP27.00
TPSA306.97 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds12
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001869.37
LogP ≤ 527.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline 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

4-[6-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-(trifluoromethoxy)quinoline
CID 142464190
6,7-Dimethoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464352
7-Methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464404
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazolin-2-amine
CID 163290737
US20240109900, Example 146
CID 164850779
US20240109900, Example 144
CID 164850822
US20240109900, Example 160
CID 164851018
US20240109900, Example 200
CID 164860238
US20240109900, Example 201
CID 164860696
US20240109900, Example 183
CID 164860772
US20240109900, Example 225
CID 164860795
US12263171, Example 100
CID 167359236

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline?
The IUPAC name of 7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline (CID 157276114) is 7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline.
What is the SMILES notation for 7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline?
The canonical SMILES for 7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline is CC(C)c1ccnc2ccccc12.CC(C)c1nccc2ccccc12.CC(C)c1ncnc2c(C(F)(F)F)cccc12.CC(C)c1ncnc2c1cnn2C.CC(C)c1ncnc2cccnc12.CC(C)c1ncnc2cnccc12.CC(C)c1ncnc2ncccc12.COc1ccc2c(C(C)C)ncnc2c1.COc1cccc2c(C(C)C)ncnc12.Cc1ccc2c(C(C)C)ncnc2c1.
What is the InChIKey of 7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline?
The InChIKey is AZCUUWFVJRSWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2.2C12H14N2O.C12H14N2.2C12H13N.3C10H11N3.C9H12N4/c1-7(2)10-8-4-3-5-9(12(13,14)15)11(8)17-6-16-10;1-8(2)12-10-5-4-9(15-3)6-11(10)13-7-14-12;1-8(2)11-9-5-4-6-10(15-3)12(9)14-7-13-11;1-8(2)12-10-5-4-9(3)6-11(10)13-7-14-12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-9(2)12-11-6-4-3-5-10(11)7-8-13-12;1-7(2)10-8-3-4-11-5-9(8)12-6-13-10;1-7(2)9-10-8(12-6-13-9)4-3-5-11-10;1-7(2)9-8-4-3-5-11-10(8)13-6-12-9;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8/h3-7H,1-2H3;2*4-8H,1-3H3;4-8H,1-3H3;2*3-9H,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3.
What are the key properties of 7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline?
7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline has a molecular weight of 1869.37 g/mol, XLogP of 27.00, 12 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-propan-2-ylquinazoline;8-methoxy-4-propan-2-ylquinazoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylquinazoline;1-propan-2-ylisoquinoline;4-propan-2-ylpyrido[2,3-d]pyrimidine;4-propan-2-ylpyrido[3,2-d]pyrimidine;4-propan-2-ylpyrido[3,4-d]pyrimidine;4-propan-2-ylquinoline;4-propan-2-yl-8-(trifluoromethyl)quinazoline is sourced from PubChem (CID 157276114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).