8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one

C30H25FN2O2 — CID 174203272

IUPAC8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
SMILESCc1cc(C(C)Nc2cccnc2-c2ccccc2F)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C30H25FN2O2/c1-18-16-23(20(3)33-26-14-9-15-32-27(26)22-12-7-8-13-25(22)31)30-24(17-18)28(34)19(2)29(35-30)21-10-5-4-6-11-21/h4-17,20,33H,1-3H3
InChIKeyALNOVLGWICUGIG-UHFFFAOYSA-N
MW464.54 g/mol
LogP7.45
Rot. Bonds5

About 8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one

8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one (PubChem CID 174203272) has the molecular formula C30H25FN2O2 and a molecular weight of 464.54 g/mol. Its IUPAC name is 8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
PubChem CID174203272
Molecular FormulaC30H25FN2O2
Molecular Weight464.54 g/mol
Exact Mass464.19
IUPAC Name8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
SMILESCc1cc(C(C)Nc2cccnc2-c2ccccc2F)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C30H25FN2O2/c1-18-16-23(20(3)33-26-14-9-15-32-27(26)22-12-7-8-13-25(22)31)30-24(17-18)28(34)19(2)29(35-30)21-10-5-4-6-11-21/h4-17,20,33H,1-3H3
InChIKeyALNOVLGWICUGIG-UHFFFAOYSA-N
XLogP7.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174170867
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270678
8-[(1R)-1-[[2-(difluoromethyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269764
3,6-dimethyl-2-phenyl-8-[(1R)-1-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]chromen-4-one
CID 170415799
3-[3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]amino]-2-pyridinyl]-4-methyl-1,2,4-oxadiazol-5-one
CID 169270828
8-[(1R)-1-[[2-(2,3-dihydro-1H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one;molecular hydrogen
CID 169269754
3,6-dimethyl-8-[(1R)-1-(2-methylanilino)ethyl]-2-phenylchromen-4-one
CID 169269773
8-[1-[2-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluoroanilino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270667
2-[[(1R)-1-[2-(2-fluorophenyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]amino]benzoic acid
CID 166111101
8-[1-(2-bromoanilino)ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269250
[(1R)-1-[2-(3-fluoro-2-pyridinyl)-3,6-dimethyl-4-oxochromen-8-yl]ethyl]carbamic acid
CID 174166887
3-[2-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]-6-fluorophenyl]-4H-1,2,4-oxadiazol-5-one
CID 169269465

Frequently Asked Questions

What is the IUPAC name of 8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?
The IUPAC name of 8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one (CID 174203272) is 8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?
The canonical SMILES for 8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one is Cc1cc(C(C)Nc2cccnc2-c2ccccc2F)c2oc(-c3ccccc3)c(C)c(=O)c2c1.
What is the InChIKey of 8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?
The InChIKey is ALNOVLGWICUGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN2O2/c1-18-16-23(20(3)33-26-14-9-15-32-27(26)22-12-7-8-13-25(22)31)30-24(17-18)28(34)19(2)29(35-30)21-10-5-4-6-11-21/h4-17,20,33H,1-3H3.
What are the key properties of 8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?
8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one has a molecular weight of 464.54 g/mol, XLogP of 7.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one is sourced from PubChem (CID 174203272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).