[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone

C20H18F2N4O2 — CID 53132250

IUPAC[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc2c(Nc3cc(F)cc(F)c3)c(C(=O)N3CCOCC3)cnc2n1
InChIInChI=1S/C20H18F2N4O2/c1-12-2-3-16-18(25-15-9-13(21)8-14(22)10-15)17(11-23-19(16)24-12)20(27)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H,23,24,25)
InChIKeyDVZQWCIZZKYUEE-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.43
Rot. Bonds3

About [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone

[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53132250) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID53132250
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc2c(Nc3cc(F)cc(F)c3)c(C(=O)N3CCOCC3)cnc2n1
InChIInChI=1S/C20H18F2N4O2/c1-12-2-3-16-18(25-15-9-13(21)8-14(22)10-15)17(11-23-19(16)24-12)20(27)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H,23,24,25)
InChIKeyDVZQWCIZZKYUEE-UHFFFAOYSA-N
XLogP3.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone (CID 53132250) is [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone is Cc1ccc2c(Nc3cc(F)cc(F)c3)c(C(=O)N3CCOCC3)cnc2n1.
What is the InChIKey of [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is DVZQWCIZZKYUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-12-2-3-16-18(25-15-9-13(21)8-14(22)10-15)17(11-23-19(16)24-12)20(27)26-4-6-28-7-5-26/h2-3,8-11H,4-7H2,1H3,(H,23,24,25).
What are the key properties of [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone?
[4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 384.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53132250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).