2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline

C23H24FN3O2 — CID 90237348

IUPAC2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2nc(C3CC3)nc(N3CCC(F)(c4ccccc4)C3)c2cc1OC
InChIInChI=1S/C23H24FN3O2/c1-28-19-12-17-18(13-20(19)29-2)25-21(15-8-9-15)26-22(17)27-11-10-23(24,14-27)16-6-4-3-5-7-16/h3-7,12-13,15H,8-11,14H2,1-2H3
InChIKeyCESKIGMDKSXTJT-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.60
Rot. Bonds5

About 2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline

2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline (PubChem CID 90237348) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline.

Molecular Properties

Compound Name2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline
PubChem CID90237348
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline
SMILESCOc1cc2nc(C3CC3)nc(N3CCC(F)(c4ccccc4)C3)c2cc1OC
InChIInChI=1S/C23H24FN3O2/c1-28-19-12-17-18(13-20(19)29-2)25-21(15-8-9-15)26-22(17)27-11-10-23(24,14-27)16-6-4-3-5-7-16/h3-7,12-13,15H,8-11,14H2,1-2H3
InChIKeyCESKIGMDKSXTJT-UHFFFAOYSA-N
XLogP4.60
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline?
The IUPAC name of 2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline (CID 90237348) is 2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline.
What is the SMILES notation for 2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline?
The canonical SMILES for 2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline is COc1cc2nc(C3CC3)nc(N3CCC(F)(c4ccccc4)C3)c2cc1OC.
What is the InChIKey of 2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline?
The InChIKey is CESKIGMDKSXTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-28-19-12-17-18(13-20(19)29-2)25-21(15-8-9-15)26-22(17)27-11-10-23(24,14-27)16-6-4-3-5-7-16/h3-7,12-13,15H,8-11,14H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline?
2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline has a molecular weight of 393.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3-fluoro-3-phenylpyrrolidin-1-yl)-6,7-dimethoxyquinazoline is sourced from PubChem (CID 90237348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).