2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione

C30H28FN3O5 — CID 56933230

IUPAC2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione
SMILESCc1ccc2c(=O)n(-c3ccc(OCC[18F])cc3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1
InChIInChI=1S/C30H28FN3O5/c1-18(2)39-25-6-4-5-23-27(25)30(37)33(28(23)35)15-13-26-32-24-17-19(3)7-12-22(24)29(36)34(26)20-8-10-21(11-9-20)38-16-14-31/h4-12,17-18H,13-16H2,1-3H3/i31-1
InChIKeyQQDPZYZOOMGMLD-MNHPIYLBSA-N
MW528.57 g/mol
LogP4.67
Rot. Bonds9

About 2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione

2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione (PubChem CID 56933230) has the molecular formula C30H28FN3O5 and a molecular weight of 528.57 g/mol. Its IUPAC name is 2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione
PubChem CID56933230
Molecular FormulaC30H28FN3O5
Molecular Weight528.57 g/mol
Exact Mass528.20
IUPAC Name2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione
SMILESCc1ccc2c(=O)n(-c3ccc(OCC[18F])cc3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1
InChIInChI=1S/C30H28FN3O5/c1-18(2)39-25-6-4-5-23-27(25)30(37)33(28(23)35)15-13-26-32-24-17-19(3)7-12-22(24)29(36)34(26)20-8-10-21(11-9-20)38-16-14-31/h4-12,17-18H,13-16H2,1-3H3/i31-1
InChIKeyQQDPZYZOOMGMLD-MNHPIYLBSA-N
XLogP4.67
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.57
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione 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

CID 11697697
CID 11697697
CID 49821931
CID 49821931
CID 217632
CID 217632
CID 1366773
CID 1366773
CID 11667985
CID 11667985
CID 23151224
CID 23151224
CID 24951191
CID 24951191
CID 24951349
CID 24951349
CID 122192953
CID 122192953
CID 49821342
CID 49821342
CID 49821500
CID 49821500
CID 49821501
CID 49821501

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione?
The IUPAC name of 2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione (CID 56933230) is 2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione is Cc1ccc2c(=O)n(-c3ccc(OCC[18F])cc3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1.
What is the InChIKey of 2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione?
The InChIKey is QQDPZYZOOMGMLD-MNHPIYLBSA-N. The full InChI is InChI=1S/C30H28FN3O5/c1-18(2)39-25-6-4-5-23-27(25)30(37)33(28(23)35)15-13-26-32-24-17-19(3)7-12-22(24)29(36)34(26)20-8-10-21(11-9-20)38-16-14-31/h4-12,17-18H,13-16H2,1-3H3/i31-1.
What are the key properties of 2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione?
2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione has a molecular weight of 528.57 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[4-(2-(18F)fluoroethoxy)phenyl]-7-methyl-4-oxoquinazolin-2-yl]ethyl]-4-propan-2-yloxyisoindole-1,3-dione is sourced from PubChem (CID 56933230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).