6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione

C19H18ClFN4O3 — CID 139810426

IUPAC6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione
SMILESO=c1cc2c(c(O)[nH]1)c(=O)c1cc(F)c(N3CCNCC3)c(Cl)c1n2C1CC1
InChIInChI=1S/C19H18ClFN4O3/c20-15-16-10(7-11(21)17(15)24-5-3-22-4-6-24)18(27)14-12(25(16)9-1-2-9)8-13(26)23-19(14)28/h7-9,22H,1-6H2,(H2,23,26,28)
InChIKeyXDUNNQAUIHBWSU-UHFFFAOYSA-N
MW404.83 g/mol
LogP2.09
Rot. Bonds2

About 6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione

6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione (PubChem CID 139810426) has the molecular formula C19H18ClFN4O3 and a molecular weight of 404.83 g/mol. Its IUPAC name is 6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione.

Molecular Properties

Compound Name6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione
PubChem CID139810426
Molecular FormulaC19H18ClFN4O3
Molecular Weight404.83 g/mol
Exact Mass404.11
IUPAC Name6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione
SMILESO=c1cc2c(c(O)[nH]1)c(=O)c1cc(F)c(N3CCNCC3)c(Cl)c1n2C1CC1
InChIInChI=1S/C19H18ClFN4O3/c20-15-16-10(7-11(21)17(15)24-5-3-22-4-6-24)18(27)14-12(25(16)9-1-2-9)8-13(26)23-19(14)28/h7-9,22H,1-6H2,(H2,23,26,28)
InChIKeyXDUNNQAUIHBWSU-UHFFFAOYSA-N
XLogP2.09
TPSA90.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.83
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione with MolForge

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Launch Full Analysis

Related Compounds

9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
CID 21294353
12-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-11-fluoro-6-hydroxy-16-methyl-14-oxa-1,5-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,6,9,11,13(17)-pentaene-4,8-dione
CID 139819630
9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one
CID 66718445
[8-chloro-1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] hydrogen carbonate
CID 70382579
1-cyclopropyl-8-ethynyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 19786469
8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(3-thiophen-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 14127432
N-[[1-(8-chloro-1-cyclopropyl-6-fluoro-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 173256584
8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 169094323
CID 87873503
CID 87873503
8-chloro-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 14651175
8-chloro-1-cyclopropyl-6-fluoro-7-[3-[1-[methyl(piperidin-4-yl)amino]cyclopropyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 69492792
10-cyclopropyl-3-fluoro-2-piperazin-1-yl-7H-pyrido[4,3-b][1,8]naphthyridine-5,6-dione
CID 139810550

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione?
The IUPAC name of 6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione (CID 139810426) is 6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione.
What is the SMILES notation for 6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione?
The canonical SMILES for 6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione is O=c1cc2c(c(O)[nH]1)c(=O)c1cc(F)c(N3CCNCC3)c(Cl)c1n2C1CC1.
What is the InChIKey of 6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione?
The InChIKey is XDUNNQAUIHBWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O3/c20-15-16-10(7-11(21)17(15)24-5-3-22-4-6-24)18(27)14-12(25(16)9-1-2-9)8-13(26)23-19(14)28/h7-9,22H,1-6H2,(H2,23,26,28).
What are the key properties of 6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione?
6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione has a molecular weight of 404.83 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-cyclopropyl-8-fluoro-1-hydroxy-7-piperazin-1-yl-2H-benzo[b][1,6]naphthyridine-3,10-dione is sourced from PubChem (CID 139810426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).