methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate

C19H18FNO4 — CID 177495076

IUPACmethyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate
SMILESCOC(=O)N1CC[C@]23C=C(OC)C(=O)C=C2[C@@H]1Cc1ccc(F)cc13
InChIInChI=1S/C19H18FNO4/c1-24-17-10-19-5-6-21(18(23)25-2)15(14(19)9-16(17)22)7-11-3-4-12(20)8-13(11)19/h3-4,8-10,15H,5-7H2,1-2H3/t15-,19+/m0/s1
InChIKeyLHMULNGWVOAKMP-HNAYVOBHSA-N
MW343.35 g/mol
LogP2.50
Rot. Bonds1

About methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate

methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate (PubChem CID 177495076) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate.

Molecular Properties

Compound Namemethyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate
PubChem CID177495076
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Namemethyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate
SMILESCOC(=O)N1CC[C@]23C=C(OC)C(=O)C=C2[C@@H]1Cc1ccc(F)cc13
InChIInChI=1S/C19H18FNO4/c1-24-17-10-19-5-6-21(18(23)25-2)15(14(19)9-16(17)22)7-11-3-4-12(20)8-13(11)19/h3-4,8-10,15H,5-7H2,1-2H3/t15-,19+/m0/s1
InChIKeyLHMULNGWVOAKMP-HNAYVOBHSA-N
XLogP2.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,10S)-3,4,5,14-tetramethoxy-18-methylsulfonyl-18-azatetracyclo[8.5.3.01,11.02,7]octadeca-2,4,6,11,14-pentaen-13-one
CID 70694297
methyl (1S)-7-fluoro-1-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 95985738
methyl 1,2,10,11-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
CID 11825504
2-[5-fluoro-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
CID 155876652
methyl 5-fluoro-2,3-dihydroindole-1-carboxylate
CID 110713972
methyl (1S)-7-fluoro-1-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 95985742
methane;tris(methyl 3-[4-(6-fluoro-2-oxo-3H-indol-1-yl)piperidin-1-yl]-3-methylpyrrolidine-1-carboxylate)
CID 162222200
methyl 2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl)acetate
CID 105480345
tert-butyl (1R)-1-amino-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 96530623
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78864389
methyl (6aR)-10-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
CID 162401837
N-(2,4-difluorophenyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131519

Frequently Asked Questions

What is the IUPAC name of methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate?
The IUPAC name of methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate (CID 177495076) is methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate.
What is the SMILES notation for methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate?
The canonical SMILES for methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate is COC(=O)N1CC[C@]23C=C(OC)C(=O)C=C2[C@@H]1Cc1ccc(F)cc13.
What is the InChIKey of methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate?
The InChIKey is LHMULNGWVOAKMP-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-24-17-10-19-5-6-21(18(23)25-2)15(14(19)9-16(17)22)7-11-3-4-12(20)8-13(11)19/h3-4,8-10,15H,5-7H2,1-2H3/t15-,19+/m0/s1.
What are the key properties of methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate?
methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate has a molecular weight of 343.35 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,9S)-4-fluoro-13-methoxy-12-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-17-carboxylate is sourced from PubChem (CID 177495076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).