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

C19H16N4O4 — CID 46343914

IUPAC7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H16N4O4/c1-27-14-6-8-15-11(9-14)5-7-16-17(15)21-22-18(16)19(24)20-12-3-2-4-13(10-12)23(25)26/h2-4,6,8-10H,5,7H2,1H3,(H,20,24)(H,21,22)
InChIKeyRRQNEOVQHSIEDQ-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.34
Rot. Bonds4

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

7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 46343914) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID46343914
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESCOc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H16N4O4/c1-27-14-6-8-15-11(9-14)5-7-16-17(15)21-22-18(16)19(24)20-12-3-2-4-13(10-12)23(25)26/h2-4,6,8-10H,5,7H2,1H3,(H,20,24)(H,21,22)
InChIKeyRRQNEOVQHSIEDQ-UHFFFAOYSA-N
XLogP3.34
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 46343897
N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954114
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20930970
7,19-dimethoxy-13-(3-nitrophenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
CID 72698189
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-[(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)amino]phenyl]-4-nitrobenzamide
CID 156788599
3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19510934
N-[(E)-(3-nitrophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 6862137
N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 3548121

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 46343914) is 7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is RRQNEOVQHSIEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-27-14-6-8-15-11(9-14)5-7-16-17(15)21-22-18(16)19(24)20-12-3-2-4-13(10-12)23(25)26/h2-4,6,8-10H,5,7H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 46343914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).