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

C24H21FN2O2 — CID 169270678

IUPAC8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
SMILESCc1cc(C(C)Nc2cccnc2F)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C24H21FN2O2/c1-14-12-18(16(3)27-20-10-7-11-26-24(20)25)23-19(13-14)21(28)15(2)22(29-23)17-8-5-4-6-9-17/h4-13,16,27H,1-3H3
InChIKeyLPWQIHHFCFFYSF-UHFFFAOYSA-N
MW388.44 g/mol
LogP5.78
Rot. Bonds4

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

8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one (PubChem CID 169270678) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
PubChem CID169270678
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
SMILESCc1cc(C(C)Nc2cccnc2F)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C24H21FN2O2/c1-14-12-18(16(3)27-20-10-7-11-26-24(20)25)23-19(13-14)21(28)15(2)22(29-23)17-8-5-4-6-9-17/h4-13,16,27H,1-3H3
InChIKeyLPWQIHHFCFFYSF-UHFFFAOYSA-N
XLogP5.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-[(1R)-1-[[2-(difluoromethyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269764
8-[1-[[2-(2-fluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174203272
8-[(1R)-1-[[2-(2,6-difluorophenyl)-3-pyridinyl]amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174170867
3,6-dimethyl-8-[(1R)-1-(2-methylanilino)ethyl]-2-phenylchromen-4-one
CID 169269773
8-[1-(2-bromoanilino)ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269250
3,6-dimethyl-2-phenyl-8-[(1R)-1-[[2-(2H-tetrazol-5-yl)-3-pyridinyl]amino]ethyl]chromen-4-one
CID 170415799
N-cyclopentyl-3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carboxamide
CID 169270069
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
[3-[1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethylamino]pyridine-2-carbonyl]sulfamoylcarbamic acid
CID 170339320
3,6-dimethyl-2-phenyl-8-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)anilino]ethyl]chromen-4-one
CID 169269536
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
8-[1-[2-(5-amino-1,3,4-oxadiazol-2-yl)-3-fluoroanilino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270667

Frequently Asked Questions

What is the IUPAC name of 8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?
The IUPAC name of 8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one (CID 169270678) is 8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?
The canonical SMILES for 8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one is Cc1cc(C(C)Nc2cccnc2F)c2oc(-c3ccccc3)c(C)c(=O)c2c1.
What is the InChIKey of 8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?
The InChIKey is LPWQIHHFCFFYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-14-12-18(16(3)27-20-10-7-11-26-24(20)25)23-19(13-14)21(28)15(2)22(29-23)17-8-5-4-6-9-17/h4-13,16,27H,1-3H3.
What are the key properties of 8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one?
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one has a molecular weight of 388.44 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one is sourced from PubChem (CID 169270678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).