4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one

C50H65ClN10O4 — CID 174856346

IUPAC4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C18H24N4O.C18H19N3O.C14H22ClN3O2/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);3-6,9-10,13H,7-8,11H2,1-2H3;8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyKITNNLOUSZAUDC-UHFFFAOYSA-N
MW905.59 g/mol
LogP7.45
Rot. Bonds11

About 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one

4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one (PubChem CID 174856346) has the molecular formula C50H65ClN10O4 and a molecular weight of 905.59 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
PubChem CID174856346
Molecular FormulaC50H65ClN10O4
Molecular Weight905.59 g/mol
Exact Mass904.49
IUPAC Name4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C18H24N4O.C18H19N3O.C14H22ClN3O2/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);3-6,9-10,13H,7-8,11H2,1-2H3;8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyKITNNLOUSZAUDC-UHFFFAOYSA-N
XLogP7.45
TPSA157.57 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.59
LogP ≤ 57.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one (CID 174856346) is 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one is CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.
What is the InChIKey of 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is KITNNLOUSZAUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.C18H19N3O.C14H22ClN3O2/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17;1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23);3-6,9-10,13H,7-8,11H2,1-2H3;8-9H,4-7,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one?
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 905.59 g/mol, XLogP of 7.45, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 174856346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).