N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C18H22N4O2 — CID 20953986

IUPACN-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C18H22N4O2/c23-18(19-7-8-22-9-11-24-12-10-22)17-15-6-5-13-3-1-2-4-14(13)16(15)20-21-17/h1-4H,5-12H2,(H,19,23)(H,20,21)
InChIKeyVMAXHKFJBKCIMX-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.24
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20953986) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20953986
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C18H22N4O2/c23-18(19-7-8-22-9-11-24-12-10-22)17-15-6-5-13-3-1-2-4-14(13)16(15)20-21-17/h1-4H,5-12H2,(H,19,23)(H,20,21)
InChIKeyVMAXHKFJBKCIMX-UHFFFAOYSA-N
XLogP1.24
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953968
4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrate
CID 18415770
N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954009
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 71831326
N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 122246984
N-(3-piperidin-1-ylpropyl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 20954247
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 109053296
N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 48642627
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954136
N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 2987060
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(3-morpholin-4-ylpropyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 17465579

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20953986) is N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is O=C(NCCN1CCOCC1)c1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is VMAXHKFJBKCIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(19-7-8-22-9-11-24-12-10-22)17-15-6-5-13-3-1-2-4-14(13)16(15)20-21-17/h1-4H,5-12H2,(H,19,23)(H,20,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20953986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).