N-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide

C17H17FN4O3 — CID 142448181

IUPACN-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCC1COC(=O)N1c1cc2cc(NC(=O)C3CC3)ncc2c(N)c1F
InChIInChI=1S/C17H17FN4O3/c1-8-7-25-17(24)22(8)12-4-10-5-13(21-16(23)9-2-3-9)20-6-11(10)15(19)14(12)18/h4-6,8-9H,2-3,7,19H2,1H3,(H,20,21,23)
InChIKeyLCJPWKLZHHITHR-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.65
Rot. Bonds3

About N-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 142448181) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID142448181
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC NameN-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCC1COC(=O)N1c1cc2cc(NC(=O)C3CC3)ncc2c(N)c1F
InChIInChI=1S/C17H17FN4O3/c1-8-7-25-17(24)22(8)12-4-10-5-13(21-16(23)9-2-3-9)20-6-11(10)15(19)14(12)18/h4-6,8-9H,2-3,7,19H2,1H3,(H,20,21,23)
InChIKeyLCJPWKLZHHITHR-UHFFFAOYSA-N
XLogP2.65
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-N-[8-chloro-6-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 142448167
cis-(1S,2S)-N-[8-amino-6-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 140921526
N-[8-amino-6-(2-oxo-1,3-oxazolidin-3-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;ethane
CID 142447783
cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]isoquinolin-3-yl]-2-[(methylideneamino)methyl]cyclopropane-1-carboxamide
CID 142447870
N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 142447902
cis-(1R,2R)-N-[8-chloro-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342639
tert-butyl N-[3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-8-yl]carbamate
CID 135343211
N-[6-[acetyl(1-cyclobutylpropan-2-yl)amino]-8-amino-7-fluoroisoquinolin-3-yl]cyclopropanecarboxamide;formonitrile
CID 142448049
N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane
CID 142447590
4-[1-amino-6-(cyclopropanecarbonylamino)-2,7-naphthyridin-3-yl]-3-fluoro-5-methylbenzamide
CID 142447727
cis-(1R,2R)-2-cyano-N-[6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 140921119
N-[8-amino-6-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342672

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 142448181) is N-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide is CC1COC(=O)N1c1cc2cc(NC(=O)C3CC3)ncc2c(N)c1F.
What is the InChIKey of N-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is LCJPWKLZHHITHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-8-7-25-17(24)22(8)12-4-10-5-13(21-16(23)9-2-3-9)20-6-11(10)15(19)14(12)18/h4-6,8-9H,2-3,7,19H2,1H3,(H,20,21,23).
What are the key properties of N-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 344.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-7-fluoro-6-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 142448181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).