2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one

C22H25FN2O — CID 20931301

IUPAC2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one
SMILESCCCN(Cc1ccc(F)cc1)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1
InChIInChI=1S/C22H25FN2O/c1-4-9-25(13-17-5-7-18(23)8-6-17)14-19-12-21(26)20-11-15(2)10-16(3)22(20)24-19/h5-8,10-12H,4,9,13-14H2,1-3H3,(H,24,26)
InChIKeyUFBGPOCHFNFZFJ-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.70
Rot. Bonds6

About 2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one

2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one (PubChem CID 20931301) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one
PubChem CID20931301
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one
SMILESCCCN(Cc1ccc(F)cc1)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1
InChIInChI=1S/C22H25FN2O/c1-4-9-25(13-17-5-7-18(23)8-6-17)14-19-12-21(26)20-11-15(2)10-16(3)22(20)24-19/h5-8,10-12H,4,9,13-14H2,1-3H3,(H,24,26)
InChIKeyUFBGPOCHFNFZFJ-UHFFFAOYSA-N
XLogP4.70
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one?
The IUPAC name of 2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one (CID 20931301) is 2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one is CCCN(Cc1ccc(F)cc1)Cc1cc(=O)c2cc(C)cc(C)c2[nH]1.
What is the InChIKey of 2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one?
The InChIKey is UFBGPOCHFNFZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-4-9-25(13-17-5-7-18(23)8-6-17)14-19-12-21(26)20-11-15(2)10-16(3)22(20)24-19/h5-8,10-12H,4,9,13-14H2,1-3H3,(H,24,26).
What are the key properties of 2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one?
2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one has a molecular weight of 352.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)methyl-propylamino]methyl]-6,8-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 20931301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).