N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide

C26H31N3O3 — CID 88606523

IUPACN-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide
SMILESC=C[C@](O)(c1ccccc1)N(O)C(=O)c1cccc2c1C1CC3NCCCC3CN1CC2
InChIInChI=1S/C26H31N3O3/c1-2-26(31,20-10-4-3-5-11-20)29(32)25(30)21-12-6-8-18-13-15-28-17-19-9-7-14-27-22(19)16-23(28)24(18)21/h2-6,8,10-12,19,22-23,27,31-32H,1,7,9,13-17H2/t19?,22?,23?,26-/m0/s1
InChIKeySTTUPZOECBRVLJ-LTFFKKTDSA-N
MW433.55 g/mol
LogP3.22
Rot. Bonds4

About N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide

N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide (PubChem CID 88606523) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide
PubChem CID88606523
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide
SMILESC=C[C@](O)(c1ccccc1)N(O)C(=O)c1cccc2c1C1CC3NCCCC3CN1CC2
InChIInChI=1S/C26H31N3O3/c1-2-26(31,20-10-4-3-5-11-20)29(32)25(30)21-12-6-8-18-13-15-28-17-19-9-7-14-27-22(19)16-23(28)24(18)21/h2-6,8,10-12,19,22-23,27,31-32H,1,7,9,13-17H2/t19?,22?,23?,26-/m0/s1
InChIKeySTTUPZOECBRVLJ-LTFFKKTDSA-N
XLogP3.22
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8aR,12aS,13aS)-1-methoxy-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 57120161
(8aR,12aS,13aS)-N-chloro-N-[(1R)-1-phenylethyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-4-carboxamide
CID 18641103
(8aS,12aR,13aR)-1,2-dimethoxy-N-[(1R)-1-phenylethyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-3-carboxamide
CID 70360651
(8aR,12aS,13aS)-2,3-dimethyl-N-[(1R)-1-phenylethyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide
CID 70367978
(8aS,12aR,13aR)-3-bromo-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 57203888
(8aR,12aS,13aR)-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-2,3-diol
CID 57142890
(8aR,12aS,13aR)-4-chloro-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 18636306
(8aR,12aS,13aR)-2-fluoro-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 18636279
1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine
CID 115328459
(8aR,12aS,13aS)-3-methoxy-2-methyl-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 18636340
1-(2-phenylprop-2-enyl)-4-pyrrolidin-2-ylpiperidine
CID 115328480
(8aS,12aR,13aR)-3-hexyl-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 57179195

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide?
The IUPAC name of N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide (CID 88606523) is N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide.
What is the SMILES notation for N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide?
The canonical SMILES for N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide is C=C[C@](O)(c1ccccc1)N(O)C(=O)c1cccc2c1C1CC3NCCCC3CN1CC2.
What is the InChIKey of N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide?
The InChIKey is STTUPZOECBRVLJ-LTFFKKTDSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-2-26(31,20-10-4-3-5-11-20)29(32)25(30)21-12-6-8-18-13-15-28-17-19-9-7-14-27-22(19)16-23(28)24(18)21/h2-6,8,10-12,19,22-23,27,31-32H,1,7,9,13-17H2/t19?,22?,23?,26-/m0/s1.
What are the key properties of N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide?
N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(1S)-1-hydroxy-1-phenylprop-2-enyl]-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine-1-carboxamide is sourced from PubChem (CID 88606523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).