N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)

C32H30F6N4O8 — CID 22258496

IUPACN-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCc1cc(COc2ccc3c(C(=O)NC4CNCCC4C(=O)NO)cccc3c2)c2ccccc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C28H28N4O4.2C2HF3O2/c1-17-13-19(22-6-2-3-8-25(22)30-17)16-36-20-9-10-21-18(14-20)5-4-7-23(21)27(33)31-26-15-29-12-11-24(26)28(34)32-35;2*3-2(4,5)1(6)7/h2-10,13-14,24,26,29,35H,11-12,15-16H2,1H3,(H,31,33)(H,32,34);2*(H,6,7)
InChIKeyBADABBOYRLDYPJ-UHFFFAOYSA-N
MW712.60 g/mol
LogP4.76
Rot. Bonds6

About N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 22258496) has the molecular formula C32H30F6N4O8 and a molecular weight of 712.60 g/mol. Its IUPAC name is N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID22258496
Molecular FormulaC32H30F6N4O8
Molecular Weight712.60 g/mol
Exact Mass712.20
IUPAC NameN-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCc1cc(COc2ccc3c(C(=O)NC4CNCCC4C(=O)NO)cccc3c2)c2ccccc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C28H28N4O4.2C2HF3O2/c1-17-13-19(22-6-2-3-8-25(22)30-17)16-36-20-9-10-21-18(14-20)5-4-7-23(21)27(33)31-26-15-29-12-11-24(26)28(34)32-35;2*3-2(4,5)1(6)7/h2-10,13-14,24,26,29,35H,11-12,15-16H2,1H3,(H,31,33)(H,32,34);2*(H,6,7)
InChIKeyBADABBOYRLDYPJ-UHFFFAOYSA-N
XLogP4.76
TPSA187.18 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.60
LogP ≤ 54.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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 N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 22258496) is N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is Cc1cc(COc2ccc3c(C(=O)NC4CNCCC4C(=O)NO)cccc3c2)c2ccccc2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is BADABBOYRLDYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4.2C2HF3O2/c1-17-13-19(22-6-2-3-8-25(22)30-17)16-36-20-9-10-21-18(14-20)5-4-7-23(21)27(33)31-26-15-29-12-11-24(26)28(34)32-35;2*3-2(4,5)1(6)7/h2-10,13-14,24,26,29,35H,11-12,15-16H2,1H3,(H,31,33)(H,32,34);2*(H,6,7).
What are the key properties of N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?
N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 712.60 g/mol, XLogP of 4.76, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 22258496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).