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

C20H18ClFN4O2 — CID 53132252

IUPAC[4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc2c(Nc3ccc(Cl)c(F)c3)c(C(=O)N3CCOCC3)cnc2n1
InChIInChI=1S/C20H18ClFN4O2/c1-12-2-4-14-18(25-13-3-5-16(21)17(22)10-13)15(11-23-19(14)24-12)20(27)26-6-8-28-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,23,24,25)
InChIKeyXFXDHVZWUNEPAM-UHFFFAOYSA-N
MW400.84 g/mol
LogP3.95
Rot. Bonds3

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

[4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 53132252) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is [4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID53132252
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC Name[4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc2c(Nc3ccc(Cl)c(F)c3)c(C(=O)N3CCOCC3)cnc2n1
InChIInChI=1S/C20H18ClFN4O2/c1-12-2-4-14-18(25-13-3-5-16(21)17(22)10-13)15(11-23-19(14)24-12)20(27)26-6-8-28-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,23,24,25)
InChIKeyXFXDHVZWUNEPAM-UHFFFAOYSA-N
XLogP3.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone (CID 53132252) is [4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone is Cc1ccc2c(Nc3ccc(Cl)c(F)c3)c(C(=O)N3CCOCC3)cnc2n1.
What is the InChIKey of [4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is XFXDHVZWUNEPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c1-12-2-4-14-18(25-13-3-5-16(21)17(22)10-13)15(11-23-19(14)24-12)20(27)26-6-8-28-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,23,24,25).
What are the key properties of [4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone?
[4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 400.84 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53132252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).