9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide

C18H21N3O3 — CID 171830285

IUPAC9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2CCCO2)cc2c1-c1[nH]ncc1CC2
InChIInChI=1S/C18H21N3O3/c1-23-15-8-13(18(22)19-10-14-3-2-6-24-14)7-11-4-5-12-9-20-21-17(12)16(11)15/h7-9,14H,2-6,10H2,1H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKeyPIMOVRGWBDDBCN-AWEZNQCLSA-N
MW327.38 g/mol
LogP2.09
Rot. Bonds4

About 9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide

9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide (PubChem CID 171830285) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide.

Molecular Properties

Compound Name9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide
PubChem CID171830285
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide
SMILESCOc1cc(C(=O)NC[C@@H]2CCCO2)cc2c1-c1[nH]ncc1CC2
InChIInChI=1S/C18H21N3O3/c1-23-15-8-13(18(22)19-10-14-3-2-6-24-14)7-11-4-5-12-9-20-21-17(12)16(11)15/h7-9,14H,2-6,10H2,1H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKeyPIMOVRGWBDDBCN-AWEZNQCLSA-N
XLogP2.09
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide with MolForge

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-9-(trideuteriomethyl)-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide
CID 171830338
N-[[(2S)-oxolan-2-yl]methyl]-9-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[5,4-f]quinoline-7-carboxamide
CID 171830319
5-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 34748281
3-chloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7426624
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 18160322
2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18108766
2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55042257
5-(3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185044
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-methoxy-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 90573784

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide?
The IUPAC name of 9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide (CID 171830285) is 9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide.
What is the SMILES notation for 9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide?
The canonical SMILES for 9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide is COc1cc(C(=O)NC[C@@H]2CCCO2)cc2c1-c1[nH]ncc1CC2.
What is the InChIKey of 9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide?
The InChIKey is PIMOVRGWBDDBCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-15-8-13(18(22)19-10-14-3-2-6-24-14)7-11-4-5-12-9-20-21-17(12)16(11)15/h7-9,14H,2-6,10H2,1H3,(H,19,22)(H,20,21)/t14-/m0/s1.
What are the key properties of 9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide?
9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-4,5-dihydro-1H-benzo[g]indazole-7-carboxamide is sourced from PubChem (CID 171830285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).