N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide

C23H23ClN4O2 — CID 163903544

IUPACN-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide
SMILESCOc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H](NC(C)=O)C1=NN=C(C)C1CC2
InChIInChI=1S/C23H23ClN4O2/c1-13-19-11-7-15-6-10-18(30-3)12-20(15)21(16-4-8-17(24)9-5-16)26-23(25-14(2)29)22(19)28-27-13/h4-6,8-10,12,19,23H,7,11H2,1-3H3,(H,25,29)/t19?,23-/m1/s1
InChIKeyQLXXGHKHXUHVHZ-LEQGEALCSA-N
MW422.92 g/mol
LogP4.04
Rot. Bonds3

About N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide

N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide (PubChem CID 163903544) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide.

Molecular Properties

Compound NameN-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide
PubChem CID163903544
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC NameN-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide
SMILESCOc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H](NC(C)=O)C1=NN=C(C)C1CC2
InChIInChI=1S/C23H23ClN4O2/c1-13-19-11-7-15-6-10-18(30-3)12-20(15)21(16-4-8-17(24)9-5-16)26-23(25-14(2)29)22(19)28-27-13/h4-6,8-10,12,19,23H,7,11H2,1-3H3,(H,25,29)/t19?,23-/m1/s1
InChIKeyQLXXGHKHXUHVHZ-LEQGEALCSA-N
XLogP4.04
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide?
The IUPAC name of N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide (CID 163903544) is N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide.
What is the SMILES notation for N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide?
The canonical SMILES for N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide is COc1ccc2c(c1)C(c1ccc(Cl)cc1)=N[C@@H](NC(C)=O)C1=NN=C(C)C1CC2.
What is the InChIKey of N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide?
The InChIKey is QLXXGHKHXUHVHZ-LEQGEALCSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-13-19-11-7-15-6-10-18(30-3)12-20(15)21(16-4-8-17(24)9-5-16)26-23(25-14(2)29)22(19)28-27-13/h4-6,8-10,12,19,23H,7,11H2,1-3H3,(H,25,29)/t19?,23-/m1/s1.
What are the key properties of N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide?
N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide has a molecular weight of 422.92 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9R)-11-(4-chlorophenyl)-14-methoxy-5-methyl-6,7,10-triazatricyclo[10.4.0.04,8]hexadeca-1(12),5,7,10,13,15-hexaen-9-yl]acetamide is sourced from PubChem (CID 163903544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).