6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline

C21H24FN3O — CID 175868216

IUPAC6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline
SMILESCOc1cc(-c2ccc(F)cc2)cc2c1N(CC1CCN(C)C1)CN=C2
InChIInChI=1S/C21H24FN3O/c1-24-8-7-15(12-24)13-25-14-23-11-18-9-17(10-20(26-2)21(18)25)16-3-5-19(22)6-4-16/h3-6,9-11,15H,7-8,12-14H2,1-2H3
InChIKeyVUWXVNNHDUJJPN-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.65
Rot. Bonds4

About 6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline

6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline (PubChem CID 175868216) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline
PubChem CID175868216
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline
SMILESCOc1cc(-c2ccc(F)cc2)cc2c1N(CC1CCN(C)C1)CN=C2
InChIInChI=1S/C21H24FN3O/c1-24-8-7-15(12-24)13-25-14-23-11-18-9-17(10-20(26-2)21(18)25)16-3-5-19(22)6-4-16/h3-6,9-11,15H,7-8,12-14H2,1-2H3
InChIKeyVUWXVNNHDUJJPN-UHFFFAOYSA-N
XLogP3.65
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline?
The IUPAC name of 6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline (CID 175868216) is 6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline.
What is the SMILES notation for 6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline?
The canonical SMILES for 6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline is COc1cc(-c2ccc(F)cc2)cc2c1N(CC1CCN(C)C1)CN=C2.
What is the InChIKey of 6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline?
The InChIKey is VUWXVNNHDUJJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-24-8-7-15(12-24)13-25-14-23-11-18-9-17(10-20(26-2)21(18)25)16-3-5-19(22)6-4-16/h3-6,9-11,15H,7-8,12-14H2,1-2H3.
What are the key properties of 6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline?
6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline has a molecular weight of 353.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-methoxy-1-[(1-methylpyrrolidin-3-yl)methyl]-2H-quinazoline is sourced from PubChem (CID 175868216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).