N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C17H22N4O2 — CID 20954051

IUPACN-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCCN(C)C
InChIInChI=1S/C17H22N4O2/c1-21(2)9-8-18-17(22)16-14-6-4-11-10-12(23-3)5-7-13(11)15(14)19-20-16/h5,7,10H,4,6,8-9H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyGWKBQSYCHTVIII-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.48
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20954051) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20954051
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCCN(C)C
InChIInChI=1S/C17H22N4O2/c1-21(2)9-8-18-17(22)16-14-6-4-11-10-12(23-3)5-7-13(11)15(14)19-20-16/h5,7,10H,4,6,8-9H2,1-3H3,(H,18,22)(H,19,20)
InChIKeyGWKBQSYCHTVIII-UHFFFAOYSA-N
XLogP1.48
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953939
N-[(4-chlorophenyl)methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954044
7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954035
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954136
N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954114
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954148
N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953968
7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 46343914
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide
CID 46091725
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-(2-methylsulfanylethyl)benzamide
CID 46704846
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20930970
(4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone
CID 46343915

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20954051) is N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is GWKBQSYCHTVIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21(2)9-8-18-17(22)16-14-6-4-11-10-12(23-3)5-7-13(11)15(14)19-20-16/h5,7,10H,4,6,8-9H2,1-3H3,(H,18,22)(H,19,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20954051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).