N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide

C24H24FN3O2 — CID 55799667

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide
SMILESCC1CN(c2ccc(NC(=O)C=Cc3cccc4cccnc34)cc2F)CC(C)O1
InChIInChI=1S/C24H24FN3O2/c1-16-14-28(15-17(2)30-16)22-10-9-20(13-21(22)25)27-23(29)11-8-19-6-3-5-18-7-4-12-26-24(18)19/h3-13,16-17H,14-15H2,1-2H3,(H,27,29)
InChIKeyVAWBICCTPVHOMC-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.64
Rot. Bonds4

About N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide

N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 55799667) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID55799667
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide
SMILESCC1CN(c2ccc(NC(=O)C=Cc3cccc4cccnc34)cc2F)CC(C)O1
InChIInChI=1S/C24H24FN3O2/c1-16-14-28(15-17(2)30-16)22-10-9-20(13-21(22)25)27-23(29)11-8-19-6-3-5-18-7-4-12-26-24(18)19/h3-13,16-17H,14-15H2,1-2H3,(H,27,29)
InChIKeyVAWBICCTPVHOMC-UHFFFAOYSA-N
XLogP4.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide (CID 55799667) is N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide is CC1CN(c2ccc(NC(=O)C=Cc3cccc4cccnc34)cc2F)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is VAWBICCTPVHOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-16-14-28(15-17(2)30-16)22-10-9-20(13-21(22)25)27-23(29)11-8-19-6-3-5-18-7-4-12-26-24(18)19/h3-13,16-17H,14-15H2,1-2H3,(H,27,29).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide?
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 405.47 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 55799667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).