(2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid

C26H31FN2O7 — CID 130357022

IUPAC(2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
SMILESCOc1cc2c(cc1OCCCN1CCOCC1)[C@H]1OCC(C)(C)[C@H]1n1cc(C(=O)O)c(=O)c(F)c1-2
InChIInChI=1S/C26H31FN2O7/c1-26(2)14-36-23-16-12-19(35-8-4-5-28-6-9-34-10-7-28)18(33-3)11-15(16)21-20(27)22(30)17(25(31)32)13-29(21)24(23)26/h11-13,23-24H,4-10,14H2,1-3H3,(H,31,32)/t23-,24+/m1/s1
InChIKeyQZPWOSFAFFMFBT-RPWUZVMVSA-N
MW502.54 g/mol
LogP3.11
Rot. Bonds7

About (2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid

(2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid (PubChem CID 130357022) has the molecular formula C26H31FN2O7 and a molecular weight of 502.54 g/mol. Its IUPAC name is (2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid.

Molecular Properties

Compound Name(2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
PubChem CID130357022
Molecular FormulaC26H31FN2O7
Molecular Weight502.54 g/mol
Exact Mass502.21
IUPAC Name(2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
SMILESCOc1cc2c(cc1OCCCN1CCOCC1)[C@H]1OCC(C)(C)[C@H]1n1cc(C(=O)O)c(=O)c(F)c1-2
InChIInChI=1S/C26H31FN2O7/c1-26(2)14-36-23-16-12-19(35-8-4-5-28-6-9-34-10-7-28)18(33-3)11-15(16)21-20(27)22(30)17(25(31)32)13-29(21)24(23)26/h11-13,23-24H,4-10,14H2,1-3H3,(H,31,32)/t23-,24+/m1/s1
InChIKeyQZPWOSFAFFMFBT-RPWUZVMVSA-N
XLogP3.11
TPSA99.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid 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

(2S,6R)-16-acetyl-14-fluoro-10-methoxy-9-(3-methoxypropoxy)-3,3-dimethyl-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaen-15-one
CID 130354819
(2R,6S)-10-methoxy-3,3-dimethyl-15-oxo-9-(3-pyrrolidin-1-ylpropoxy)-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 126538211
(2R,6R)-16-acetyl-10-chloro-3,3-dimethyl-9-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propoxy]-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaen-15-one
CID 130354824
5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one
CID 144805379
(2S)-10-methoxy-9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 130356977
(6S)-6-tert-butyl-1-fluoro-9-(3-methoxypropoxy)-2-oxo-10-(trideuteriomethoxy)-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 134210692
(2R,6S)-10-methoxy-3,3-dimethyl-9-(7-methylsulfonylheptoxy)-15-oxo-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 159037341
(4aR,13bS)-12-(3-hydroxypropoxy)-11-methoxy-4,4-dimethyl-8-oxo-2,3,4a,13b-tetrahydro-1H-pyrido[1,2-f]phenanthridine-7-carboxylic acid
CID 134493518
(2S,6R)-10-methoxy-3,3-dimethyl-15-oxo-9-(2,2,2-trifluoroethoxy)-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
CID 126538051
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
2-amino-5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)benzoic acid
CID 130345860
(1E,4E)-1,5-bis[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]penta-1,4-dien-3-one
CID 127035896

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid?
The IUPAC name of (2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid (CID 130357022) is (2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid.
What is the SMILES notation for (2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid?
The canonical SMILES for (2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid is COc1cc2c(cc1OCCCN1CCOCC1)[C@H]1OCC(C)(C)[C@H]1n1cc(C(=O)O)c(=O)c(F)c1-2.
What is the InChIKey of (2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid?
The InChIKey is QZPWOSFAFFMFBT-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H31FN2O7/c1-26(2)14-36-23-16-12-19(35-8-4-5-28-6-9-34-10-7-28)18(33-3)11-15(16)21-20(27)22(30)17(25(31)32)13-29(21)24(23)26/h11-13,23-24H,4-10,14H2,1-3H3,(H,31,32)/t23-,24+/m1/s1.
What are the key properties of (2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid?
(2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid has a molecular weight of 502.54 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-14-fluoro-10-methoxy-3,3-dimethyl-9-(3-morpholin-4-ylpropoxy)-15-oxo-5-oxa-1-azatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid is sourced from PubChem (CID 130357022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).