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6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one

C19H27FN4O — CID 156721306

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one
SMILESCCC[C@H](c1nc2ccc(F)cc2c(=O)n1C)N1CCCN(C)CC1
InChIInChI=1S/C19H27FN4O/c1-4-6-17(24-10-5-9-22(2)11-12-24)18-21-16-8-7-14(20)13-15(16)19(25)23(18)3/h7-8,13,17H,4-6,9-12H2,1-3H3/t17-/m1/s1
InChIKeyRXYGCDINAUFRMP-QGZVFWFLSA-N
MW346.45 g/mol
LogP2.55
Rot. Bonds4

About 6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one

6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one (PubChem CID 156721306) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is 6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one
PubChem CID156721306
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one
SMILESCCC[C@H](c1nc2ccc(F)cc2c(=O)n1C)N1CCCN(C)CC1
InChIInChI=1S/C19H27FN4O/c1-4-6-17(24-10-5-9-22(2)11-12-24)18-21-16-8-7-14(20)13-15(16)19(25)23(18)3/h7-8,13,17H,4-6,9-12H2,1-3H3/t17-/m1/s1
InChIKeyRXYGCDINAUFRMP-QGZVFWFLSA-N
XLogP2.55
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one?
The IUPAC name of 6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one (CID 156721306) is 6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one.
What is the SMILES notation for 6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one?
The canonical SMILES for 6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one is CCC[C@H](c1nc2ccc(F)cc2c(=O)n1C)N1CCCN(C)CC1.
What is the InChIKey of 6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one?
The InChIKey is RXYGCDINAUFRMP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-4-6-17(24-10-5-9-22(2)11-12-24)18-21-16-8-7-14(20)13-15(16)19(25)23(18)3/h7-8,13,17H,4-6,9-12H2,1-3H3/t17-/m1/s1.
What are the key properties of 6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one?
6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one has a molecular weight of 346.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-2-[(1R)-1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one is sourced from PubChem (CID 156721306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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