1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one

C24H18F5N3O3 — CID 177182194

IUPAC1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
SMILESCNc1c(-c2ccc(OC)cc2)c(=O)n(-c2ccc(OC(F)F)cc2)c2cc(C(F)(F)F)cnc12
InChIInChI=1S/C24H18F5N3O3/c1-30-21-19(13-3-7-16(34-2)8-4-13)22(33)32(15-5-9-17(10-6-15)35-23(25)26)18-11-14(24(27,28)29)12-31-20(18)21/h3-12,23,30H,1-2H3
InChIKeyDOSTUKUZENDGMW-UHFFFAOYSA-N
MW491.42 g/mol
LogP5.72
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one

1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one (PubChem CID 177182194) has the molecular formula C24H18F5N3O3 and a molecular weight of 491.42 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
PubChem CID177182194
Molecular FormulaC24H18F5N3O3
Molecular Weight491.42 g/mol
Exact Mass491.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
SMILESCNc1c(-c2ccc(OC)cc2)c(=O)n(-c2ccc(OC(F)F)cc2)c2cc(C(F)(F)F)cnc12
InChIInChI=1S/C24H18F5N3O3/c1-30-21-19(13-3-7-16(34-2)8-4-13)22(33)32(15-5-9-17(10-6-15)35-23(25)26)18-11-14(24(27,28)29)12-31-20(18)21/h3-12,23,30H,1-2H3
InChIKeyDOSTUKUZENDGMW-UHFFFAOYSA-N
XLogP5.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one (CID 177182194) is 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one is CNc1c(-c2ccc(OC)cc2)c(=O)n(-c2ccc(OC(F)F)cc2)c2cc(C(F)(F)F)cnc12.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
The InChIKey is DOSTUKUZENDGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N3O3/c1-30-21-19(13-3-7-16(34-2)8-4-13)22(33)32(15-5-9-17(10-6-15)35-23(25)26)18-11-14(24(27,28)29)12-31-20(18)21/h3-12,23,30H,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one?
1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one has a molecular weight of 491.42 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one is sourced from PubChem (CID 177182194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).