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

C21H19N3O3 — CID 20954114

IUPACN-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H19N3O3/c1-12(25)13-3-6-15(7-4-13)22-21(26)20-18-9-5-14-11-16(27-2)8-10-17(14)19(18)23-24-20/h3-4,6-8,10-11H,5,9H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyKZDSHGSFXGEZMN-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.64
Rot. Bonds4

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

N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20954114) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20954114
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H19N3O3/c1-12(25)13-3-6-15(7-4-13)22-21(26)20-18-9-5-14-11-16(27-2)8-10-17(14)19(18)23-24-20/h3-4,6-8,10-11H,5,9H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyKZDSHGSFXGEZMN-UHFFFAOYSA-N
XLogP3.64
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 46343914
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20930970
7-methoxy-N-[2-(propanoylamino)-1,3-benzothiazol-5-yl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 46328611
N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954051
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-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953929
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954136
[4-(4-fluorophenyl)piperazin-1-yl]-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone
CID 20954094
(4-cyclohexylpiperazin-1-yl)-(7-methoxy-4,5-dihydro-2H-benzo[g]indazol-3-yl)methanone
CID 46343915
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954148
N-[4-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]phenyl]acetamide
CID 175796904

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20954114) is N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is KZDSHGSFXGEZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-12(25)13-3-6-15(7-4-13)22-21(26)20-18-9-5-14-11-16(27-2)8-10-17(14)19(18)23-24-20/h3-4,6-8,10-11H,5,9H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20954114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).