1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea

C18H15F3N4O3 — CID 174327888

IUPAC1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea
SMILESCOc1cccc(-c2c(N(C(N)=O)C(F)(F)F)c(=O)n(C)c3ncccc23)c1
InChIInChI=1S/C18H15F3N4O3/c1-24-15-12(7-4-8-23-15)13(10-5-3-6-11(9-10)28-2)14(16(24)26)25(17(22)27)18(19,20)21/h3-9H,1-2H3,(H2,22,27)
InChIKeyMWVCSHNJJLGZSE-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.01
Rot. Bonds3

About 1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea

1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea (PubChem CID 174327888) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea
PubChem CID174327888
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea
SMILESCOc1cccc(-c2c(N(C(N)=O)C(F)(F)F)c(=O)n(C)c3ncccc23)c1
InChIInChI=1S/C18H15F3N4O3/c1-24-15-12(7-4-8-23-15)13(10-5-3-6-11(9-10)28-2)14(16(24)26)25(17(22)27)18(19,20)21/h3-9H,1-2H3,(H2,22,27)
InChIKeyMWVCSHNJJLGZSE-UHFFFAOYSA-N
XLogP3.01
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea
CID 22106152
1-butyl-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea
CID 22106230
2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid
CID 139946730
N-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-2,2-dimethyldodecanamide
CID 22106238
3-[3-[3-(methoxycarbonylamino)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]phenoxy]propyl acetate
CID 10310098
phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate
CID 139924711
N-[3-[[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-carbamoylamino]-2,4-di(propan-2-yl)phenyl]pyridine-3-carboxamide
CID 174381985
1-[2,6-di(propan-2-yl)phenyl]-3-[1-ethyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]urea
CID 22106237
1-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-(2,4,6-trimethoxyphenyl)urea
CID 139946697
1-[1-butyl-4-[3-[2-(dimethylamino)ethoxy]phenyl]-2-oxo-1,8-naphthyridin-3-yl]-1-[2,6-di(propan-2-yl)phenyl]urea
CID 142630630
8-(3-methoxyphenyl)-7-(trifluoromethyl)quinoline-6-carboxylic acid
CID 125425154
1-butyl-3-[1-methyl-2-oxo-4-(3-phenylmethoxyphenyl)-1,8-naphthyridin-3-yl]urea
CID 22106058

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea?
The IUPAC name of 1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea (CID 174327888) is 1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea?
The canonical SMILES for 1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea is COc1cccc(-c2c(N(C(N)=O)C(F)(F)F)c(=O)n(C)c3ncccc23)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea?
The InChIKey is MWVCSHNJJLGZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-24-15-12(7-4-8-23-15)13(10-5-3-6-11(9-10)28-2)14(16(24)26)25(17(22)27)18(19,20)21/h3-9H,1-2H3,(H2,22,27).
What are the key properties of 1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea?
1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea has a molecular weight of 392.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]-1-(trifluoromethyl)urea is sourced from PubChem (CID 174327888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).