8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C25H28FN3O5 — CID 58235020

IUPAC8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCOc1cc(F)cc(NC(C)c2cc(C(=O)N(C)C)cc3c(=O)cc(N4CCOCC4)oc23)c1
InChIInChI=1S/C25H28FN3O5/c1-15(27-18-11-17(26)12-19(13-18)32-4)20-9-16(25(31)28(2)3)10-21-22(30)14-23(34-24(20)21)29-5-7-33-8-6-29/h9-15,27H,5-8H2,1-4H3
InChIKeyPKOQQRKDYMICGM-UHFFFAOYSA-N
MW469.51 g/mol
LogP3.65
Rot. Bonds6

About 8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 58235020) has the molecular formula C25H28FN3O5 and a molecular weight of 469.51 g/mol. Its IUPAC name is 8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID58235020
Molecular FormulaC25H28FN3O5
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCOc1cc(F)cc(NC(C)c2cc(C(=O)N(C)C)cc3c(=O)cc(N4CCOCC4)oc23)c1
InChIInChI=1S/C25H28FN3O5/c1-15(27-18-11-17(26)12-19(13-18)32-4)20-9-16(25(31)28(2)3)10-21-22(30)14-23(34-24(20)21)29-5-7-33-8-6-29/h9-15,27H,5-8H2,1-4H3
InChIKeyPKOQQRKDYMICGM-UHFFFAOYSA-N
XLogP3.65
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 58235020) is 8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is COc1cc(F)cc(NC(C)c2cc(C(=O)N(C)C)cc3c(=O)cc(N4CCOCC4)oc23)c1.
What is the InChIKey of 8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is PKOQQRKDYMICGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O5/c1-15(27-18-11-17(26)12-19(13-18)32-4)20-9-16(25(31)28(2)3)10-21-22(30)14-23(34-24(20)21)29-5-7-33-8-6-29/h9-15,27H,5-8H2,1-4H3.
What are the key properties of 8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3-fluoro-5-methoxyanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 58235020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).