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

C20H18ClFN4O — CID 53132200

IUPAC[4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc2c(Nc3cccc(Cl)c3F)c(C(=O)N3CCCC3)cnc2n1
InChIInChI=1S/C20H18ClFN4O/c1-12-7-8-13-18(25-16-6-4-5-15(21)17(16)22)14(11-23-19(13)24-12)20(27)26-9-2-3-10-26/h4-8,11H,2-3,9-10H2,1H3,(H,23,24,25)
InChIKeyJAKPFIRZGQDMPA-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.71
Rot. Bonds3

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

[4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53132200) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is [4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID53132200
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name[4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc2c(Nc3cccc(Cl)c3F)c(C(=O)N3CCCC3)cnc2n1
InChIInChI=1S/C20H18ClFN4O/c1-12-7-8-13-18(25-16-6-4-5-15(21)17(16)22)14(11-23-19(13)24-12)20(27)26-9-2-3-10-26/h4-8,11H,2-3,9-10H2,1H3,(H,23,24,25)
InChIKeyJAKPFIRZGQDMPA-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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Related Compounds

methyl 4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132064
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063816
[4-(2-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063762
[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063718
methyl 4-(3-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132023
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063918
2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146063790
[4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95092536
4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone (CID 53132200) is [4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone is Cc1ccc2c(Nc3cccc(Cl)c3F)c(C(=O)N3CCCC3)cnc2n1.
What is the InChIKey of [4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JAKPFIRZGQDMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c1-12-7-8-13-18(25-16-6-4-5-15(21)17(16)22)14(11-23-19(13)24-12)20(27)26-9-2-3-10-26/h4-8,11H,2-3,9-10H2,1H3,(H,23,24,25).
What are the key properties of [4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
[4-(3-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-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53132200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).