N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide

C23H23ClN2O4 — CID 71209889

IUPACN-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
SMILESCOc1ccc2c3c1OC1CC(O)C=CC31CCN(C(=O)Nc1ccc(Cl)cc1)C2
InChIInChI=1S/C23H23ClN2O4/c1-29-18-7-2-14-13-26(22(28)25-16-5-3-15(24)4-6-16)11-10-23-9-8-17(27)12-19(23)30-21(18)20(14)23/h2-9,17,19,27H,10-13H2,1H3,(H,25,28)
InChIKeyZDHXNWLBWCTRIR-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.11
Rot. Bonds2

About N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide

N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide (PubChem CID 71209889) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
PubChem CID71209889
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC NameN-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
SMILESCOc1ccc2c3c1OC1CC(O)C=CC31CCN(C(=O)Nc1ccc(Cl)cc1)C2
InChIInChI=1S/C23H23ClN2O4/c1-29-18-7-2-14-13-26(22(28)25-16-5-3-15(24)4-6-16)11-10-23-9-8-17(27)12-19(23)30-21(18)20(14)23/h2-9,17,19,27H,10-13H2,1H3,(H,25,28)
InChIKeyZDHXNWLBWCTRIR-UHFFFAOYSA-N
XLogP4.11
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide with MolForge

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Related Compounds

14-hydroxy-9-methoxy-N-phenyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
CID 71209879
(14R)-14-hydroxy-9-methoxy-N-naphthalen-2-yl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
CID 58645918
(1S,12S,14R)-N-ethyl-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
CID 10132259
1-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-4-yl]ethanone
CID 71209954
(12R,14S)-14-hydroxy-9-methoxy-N-(1-phenylethyl)-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide
CID 146028080
4-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-4-yl]-4-oxobutanoic acid
CID 58872788
9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 3449
tert-butyl N-[6-[(14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carbonyl)amino]hexyl]carbamate
CID 71210932
hydron;9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol;bromide
CID 72682946
(12S,14R)-9-methoxy-4-propyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 173167124
(1S,12S,14R)-4-ethyl-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
CID 10470135
[tert-butyl(diphenyl)silyl] (14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxylate
CID 16638863

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide (CID 71209889) is N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide is COc1ccc2c3c1OC1CC(O)C=CC31CCN(C(=O)Nc1ccc(Cl)cc1)C2.
What is the InChIKey of N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide?
The InChIKey is ZDHXNWLBWCTRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-29-18-7-2-14-13-26(22(28)25-16-5-3-15(24)4-6-16)11-10-23-9-8-17(27)12-19(23)30-21(18)20(14)23/h2-9,17,19,27H,10-13H2,1H3,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide?
N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-4-carboxamide is sourced from PubChem (CID 71209889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).