10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one

C22H21FN4O — CID 71242695

IUPAC10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one
SMILESC=c1nc2c(c(=O)[nH]1)=Nc1cc(C)c(C)cc1N2CCCc1ccccc1F
InChIInChI=1S/C22H21FN4O/c1-13-11-18-19(12-14(13)2)27(10-6-8-16-7-4-5-9-17(16)23)21-20(26-18)22(28)25-15(3)24-21/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3,(H,25,28)
InChIKeyYCZKMSLAZJWYRP-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.97
Rot. Bonds4

About 10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one

10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one (PubChem CID 71242695) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one.

Molecular Properties

Compound Name10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one
PubChem CID71242695
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one
SMILESC=c1nc2c(c(=O)[nH]1)=Nc1cc(C)c(C)cc1N2CCCc1ccccc1F
InChIInChI=1S/C22H21FN4O/c1-13-11-18-19(12-14(13)2)27(10-6-8-16-7-4-5-9-17(16)23)21-20(26-18)22(28)25-15(3)24-21/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3,(H,25,28)
InChIKeyYCZKMSLAZJWYRP-UHFFFAOYSA-N
XLogP2.97
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one?
The IUPAC name of 10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one (CID 71242695) is 10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one.
What is the SMILES notation for 10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one?
The canonical SMILES for 10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one is C=c1nc2c(c(=O)[nH]1)=Nc1cc(C)c(C)cc1N2CCCc1ccccc1F.
What is the InChIKey of 10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one?
The InChIKey is YCZKMSLAZJWYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-13-11-18-19(12-14(13)2)27(10-6-8-16-7-4-5-9-17(16)23)21-20(26-18)22(28)25-15(3)24-21/h4-5,7,9,11-12H,3,6,8,10H2,1-2H3,(H,25,28).
What are the key properties of 10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one?
10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one has a molecular weight of 376.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2-fluorophenyl)propyl]-7,8-dimethyl-2-methylidenebenzo[g]pteridin-4-one is sourced from PubChem (CID 71242695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).