[4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone

C20H18ClFN4O — CID 53132201

IUPAC[4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc2c(Nc3cc(Cl)ccc3F)c(C(=O)N3CCCC3)cnc2n1
InChIInChI=1S/C20H18ClFN4O/c1-12-4-6-14-18(25-17-10-13(21)5-7-16(17)22)15(11-23-19(14)24-12)20(27)26-8-2-3-9-26/h4-7,10-11H,2-3,8-9H2,1H3,(H,23,24,25)
InChIKeyROXVDKVYJREZJR-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.71
Rot. Bonds3

About [4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone

[4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53132201) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is [4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID53132201
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name[4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc2c(Nc3cc(Cl)ccc3F)c(C(=O)N3CCCC3)cnc2n1
InChIInChI=1S/C20H18ClFN4O/c1-12-4-6-14-18(25-17-10-13(21)5-7-16(17)22)15(11-23-19(14)24-12)20(27)26-8-2-3-9-26/h4-7,10-11H,2-3,8-9H2,1H3,(H,23,24,25)
InChIKeyROXVDKVYJREZJR-UHFFFAOYSA-N
XLogP4.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone (CID 53132201) is [4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone is Cc1ccc2c(Nc3cc(Cl)ccc3F)c(C(=O)N3CCCC3)cnc2n1.
What is the InChIKey of [4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ROXVDKVYJREZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c1-12-4-6-14-18(25-17-10-13(21)5-7-16(17)22)15(11-23-19(14)24-12)20(27)26-8-2-3-9-26/h4-7,10-11H,2-3,8-9H2,1H3,(H,23,24,25).
What are the key properties of [4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
[4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 384.84 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53132201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).