CID 163919531

C15H15AlFN3O5 — CID 163919531

IUPAC—
SMILESCCOC(=O)c1cn([Al])c2nc(N3C[C@@H](O)[C@H](O)C3)c(F)cc2c1=O
InChIInChI=1S/C15H16FN3O5.Al/c1-2-24-15(23)8-4-17-13-7(12(8)22)3-9(16)14(18-13)19-5-10(20)11(21)6-19;/h3-4,10-11,20-21H,2,5-6H2,1H3,(H,17,18,22,23);/q;+1/p-1/t10-,11-;/m1./s1
InChIKeyFURVZOFZJDLBTJ-NDXYWBNTSA-M
MW363.28 g/mol
LogP-0.81
Rot. Bonds3

About CID 163919531

CID 163919531 (PubChem CID 163919531) has the molecular formula C15H15AlFN3O5 and a molecular weight of 363.28 g/mol.

Molecular Properties

Compound NameCID 163919531
PubChem CID163919531
Molecular FormulaC15H15AlFN3O5
Molecular Weight363.28 g/mol
Exact Mass363.08
IUPAC Name—
SMILESCCOC(=O)c1cn([Al])c2nc(N3C[C@@H](O)[C@H](O)C3)c(F)cc2c1=O
InChIInChI=1S/C15H16FN3O5.Al/c1-2-24-15(23)8-4-17-13-7(12(8)22)3-9(16)14(18-13)19-5-10(20)11(21)6-19;/h3-4,10-11,20-21H,2,5-6H2,1H3,(H,17,18,22,23);/q;+1/p-1/t10-,11-;/m1./s1
InChIKeyFURVZOFZJDLBTJ-NDXYWBNTSA-M
XLogP-0.81
TPSA104.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methoxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11385492
ethyl 7-[(3S,4R)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-methoxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11247666
ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 10972101
ethyl 1-cyclohexyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 46947192
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate
CID 10862218
CID 145440043
CID 145440043
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 11825886
ethyl 7-(3-acetamidopyrrolidin-1-yl)-6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 18985315
ethyl 1-cyclopropyl-6-fluoro-7-[(3S,4R)-3-fluoro-4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 22837827
ethyl 6-fluoro-1-(5-fluoro-2-pyridinyl)-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 10669529
ethyl 1-(2,4-difluorophenyl)-7-[3-(2,2-dimethylpropylideneamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
CID 19694997
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-N-(3-methylpentan-3-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134346781

Frequently Asked Questions

What is the IUPAC name of CID 163919531?
The IUPAC name of CID 163919531 (CID 163919531) is not available.
What is the SMILES notation for CID 163919531?
The canonical SMILES for CID 163919531 is CCOC(=O)c1cn([Al])c2nc(N3C[C@@H](O)[C@H](O)C3)c(F)cc2c1=O.
What is the InChIKey of CID 163919531?
The InChIKey is FURVZOFZJDLBTJ-NDXYWBNTSA-M. The full InChI is InChI=1S/C15H16FN3O5.Al/c1-2-24-15(23)8-4-17-13-7(12(8)22)3-9(16)14(18-13)19-5-10(20)11(21)6-19;/h3-4,10-11,20-21H,2,5-6H2,1H3,(H,17,18,22,23);/q;+1/p-1/t10-,11-;/m1./s1.
What are the key properties of CID 163919531?
CID 163919531 has a molecular weight of 363.28 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163919531 is sourced from PubChem (CID 163919531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).