1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride

C25H30Cl2N4O2 — CID 5351294

IUPAC1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCc1cc(OC)ccc1-2.Cl
InChIInChI=1S/C25H29ClN4O2.ClH/c1-4-29(5-2)15-14-27-25(31)23-22-12-6-17-16-20(32-3)11-13-21(17)24(22)30(28-23)19-9-7-18(26)8-10-19;/h7-11,13,16H,4-6,12,14-15H2,1-3H3,(H,27,31);1H
InChIKeyDRMVKBWLBKXFCL-UHFFFAOYSA-N
MW489.45 g/mol
LogP4.79
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride

1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride (PubChem CID 5351294) has the molecular formula C25H30Cl2N4O2 and a molecular weight of 489.45 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride
PubChem CID5351294
Molecular FormulaC25H30Cl2N4O2
Molecular Weight489.45 g/mol
Exact Mass488.17
IUPAC Name1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCc1cc(OC)ccc1-2.Cl
InChIInChI=1S/C25H29ClN4O2.ClH/c1-4-29(5-2)15-14-27-25(31)23-22-12-6-17-16-20(32-3)11-13-21(17)24(22)30(28-23)19-9-7-18(26)8-10-19;/h7-11,13,16H,4-6,12,14-15H2,1-3H3,(H,27,31);1H
InChIKeyDRMVKBWLBKXFCL-UHFFFAOYSA-N
XLogP4.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954051
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755338
N-[2-(7-methoxy-4,5-dihydrobenzo[g]indol-1-yl)ethyl]acetamide
CID 19036463
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
N-[(4-chlorophenyl)methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954044
1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 5028936
6,7-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 29135910
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 3240737
1-(4-chlorophenyl)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 3968886
4-chloro-N-[2-[(4-chlorobenzoyl)-ethylamino]ethyl]benzamide
CID 4570417

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride (CID 5351294) is 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride is CCN(CC)CCNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCc1cc(OC)ccc1-2.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride?
The InChIKey is DRMVKBWLBKXFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2.ClH/c1-4-29(5-2)15-14-27-25(31)23-22-12-6-17-16-20(32-3)11-13-21(17)24(22)30(28-23)19-9-7-18(26)8-10-19;/h7-11,13,16H,4-6,12,14-15H2,1-3H3,(H,27,31);1H.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride?
1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride has a molecular weight of 489.45 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 5351294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).