7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

C19H28N4O2 — CID 169125334

IUPAC7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESCN1CCC[C@H]2C[C@H](N3CCc4cc(C(=O)NO)cnc4C3)CCC21
InChIInChI=1S/C19H28N4O2/c1-22-7-2-3-14-10-16(4-5-18(14)22)23-8-6-13-9-15(19(24)21-25)11-20-17(13)12-23/h9,11,14,16,18,25H,2-8,10,12H2,1H3,(H,21,24)/t14-,16+,18?/m0/s1
InChIKeyDPIJOUMKLIRVNY-QJZXMCBYSA-N
MW344.46 g/mol
LogP1.82
Rot. Bonds2

About 7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (PubChem CID 169125334) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
PubChem CID169125334
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESCN1CCC[C@H]2C[C@H](N3CCc4cc(C(=O)NO)cnc4C3)CCC21
InChIInChI=1S/C19H28N4O2/c1-22-7-2-3-14-10-16(4-5-18(14)22)23-8-6-13-9-15(19(24)21-25)11-20-17(13)12-23/h9,11,14,16,18,25H,2-8,10,12H2,1H3,(H,21,24)/t14-,16+,18?/m0/s1
InChIKeyDPIJOUMKLIRVNY-QJZXMCBYSA-N
XLogP1.82
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (CID 169125334) is 7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is CN1CCC[C@H]2C[C@H](N3CCc4cc(C(=O)NO)cnc4C3)CCC21.
What is the InChIKey of 7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The InChIKey is DPIJOUMKLIRVNY-QJZXMCBYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-22-7-2-3-14-10-16(4-5-18(14)22)23-8-6-13-9-15(19(24)21-25)11-20-17(13)12-23/h9,11,14,16,18,25H,2-8,10,12H2,1H3,(H,21,24)/t14-,16+,18?/m0/s1.
What are the key properties of 7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 169125334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).