4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide

C29H30N4O2 — CID 46091725

IUPAC4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide
SMILESCOc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCCCN(C)c4ccccc4)cc3)n[nH]c1-2
InChIInChI=1S/C29H30N4O2/c1-33(23-7-4-3-5-8-23)18-6-17-30-29(34)21-11-9-20(10-12-21)27-26-15-13-22-19-24(35-2)14-16-25(22)28(26)32-31-27/h3-5,7-12,14,16,19H,6,13,15,17-18H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyLZZYWGMLORYYAC-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.11
Rot. Bonds8

About 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide

4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 46091725) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID46091725
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide
SMILESCOc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCCCN(C)c4ccccc4)cc3)n[nH]c1-2
InChIInChI=1S/C29H30N4O2/c1-33(23-7-4-3-5-8-23)18-6-17-30-29(34)21-11-9-20(10-12-21)27-26-15-13-22-19-24(35-2)14-16-25(22)28(26)32-31-27/h3-5,7-12,14,16,19H,6,13,15,17-18H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyLZZYWGMLORYYAC-UHFFFAOYSA-N
XLogP5.11
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-(2-methylsulfanylethyl)benzamide
CID 46704846
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 46091633
N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide
CID 46091673
N-[(3,4-difluorophenyl)methyl]-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide
CID 91633968
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 93017301
N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide
CID 46092028
N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954051
4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-[3-(dipropylamino)propyl]benzamide
CID 18415999
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-(3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)-N-(2-phenoxyethyl)benzamide
CID 46092004

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide (CID 46091725) is 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide is COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCCCN(C)c4ccccc4)cc3)n[nH]c1-2.
What is the InChIKey of 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is LZZYWGMLORYYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-33(23-7-4-3-5-8-23)18-6-17-30-29(34)21-11-9-20(10-12-21)27-26-15-13-22-19-24(35-2)14-16-25(22)28(26)32-31-27/h3-5,7-12,14,16,19H,6,13,15,17-18H2,1-2H3,(H,30,34)(H,31,32).
What are the key properties of 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide?
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 466.59 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 46091725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).