9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one

C16H10ClN3O2 — CID 58564245

IUPAC9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one
SMILESO=c1[nH]c2nccc(Nc3cccc(Cl)c3)c2c2occc12
InChIInChI=1S/C16H10ClN3O2/c17-9-2-1-3-10(8-9)19-12-4-6-18-15-13(12)14-11(5-7-22-14)16(21)20-15/h1-8H,(H2,18,19,20,21)
InChIKeyXGAUPBFYMFAJIS-UHFFFAOYSA-N
MW311.73 g/mol
LogP4.07
Rot. Bonds2

About 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one

9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one (PubChem CID 58564245) has the molecular formula C16H10ClN3O2 and a molecular weight of 311.73 g/mol. Its IUPAC name is 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one
PubChem CID58564245
Molecular FormulaC16H10ClN3O2
Molecular Weight311.73 g/mol
Exact Mass311.05
IUPAC Name9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one
SMILESO=c1[nH]c2nccc(Nc3cccc(Cl)c3)c2c2occc12
InChIInChI=1S/C16H10ClN3O2/c17-9-2-1-3-10(8-9)19-12-4-6-18-15-13(12)14-11(5-7-22-14)16(21)20-15/h1-8H,(H2,18,19,20,21)
InChIKeyXGAUPBFYMFAJIS-UHFFFAOYSA-N
XLogP4.07
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one
CID 141243236
6-(3-chloroanilino)-1H-pyrimidin-2-one
CID 613314
2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one
CID 91621942
[4-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyridin-3-ylmethanone
CID 58086929
N-(3-chlorophenyl)-6-nitroquinolin-4-amine
CID 70281154
6-(3-chloroanilino)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 57113380
methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate
CID 58168157
1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one
CID 58564257
1-methyl-4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-N-phenylpyrrole-2-carboxamide
CID 58168022
N-(3-chlorophenyl)-1H-indol-3-amine
CID 144941155
1-[4-(1-methylpyrazol-3-yl)anilino]-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168277
N-(3-chlorophenyl)-4,8,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-9-amine
CID 171440257

Frequently Asked Questions

What is the IUPAC name of 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one?
The IUPAC name of 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one (CID 58564245) is 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one?
The canonical SMILES for 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one is O=c1[nH]c2nccc(Nc3cccc(Cl)c3)c2c2occc12.
What is the InChIKey of 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one?
The InChIKey is XGAUPBFYMFAJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O2/c17-9-2-1-3-10(8-9)19-12-4-6-18-15-13(12)14-11(5-7-22-14)16(21)20-15/h1-8H,(H2,18,19,20,21).
What are the key properties of 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one?
9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one has a molecular weight of 311.73 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloroanilino)-5H-furo[3,2-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 58564245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).